SCHEMBL7606458

SCHEMBL7606458

Cn1ccc(=O)n(CCCCC(O)CO)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
ACLY P53396 1/20 0.32
CXCR3 P49682 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6A O15550 1/20 0.30
KDM4A O75164 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM5C P41229 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
DOHH Q9BU89 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8015572 0.99 PTGER1 (0.40) PTGER1PTGER4PTGER3ACLYCXCR3
SCHEMBL8061413 0.84 PTGER1 (0.37) PTGER1PTGER4PTGER3CXCR3MMP1
SCHEMBL8070808 0.80 KDM4E (0.39) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL7605770 0.80 KDM4E (0.39) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL8375311 0.79 PTGER4 (0.44) PTGER1PTGER4PTGER3
SCHEMBL8919965 0.77 CSNK1E (0.37) PTGER1PTGER4PTGER3CXCR3KDM4E
SCHEMBL9242254 0.76 ALDH1A1 (0.42) KDM4E
SCHEMBL7604999 0.75 TSHR (0.33) PTGER1PTGER4PTGER3ACLYKDM4E
SCHEMBL7994402 0.74 ACLY (0.33) PTGER1PTGER4PTGER3ACLY
SCHEMBL9122047 0.74 PDE4A (0.47) PTGER1PTGER4PTGER3CXCR3KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719267-B1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 2002-07-31 EP disclosed
US-6133274-A TREATING DISEASE MEDIATED BY INTRACELLULAR SIGNALING THROUGH ONE OR TWO SPECIFIC INTRACELLULAR SIGNALING PATHWAYS; A XANTHINYL HAVING AT LEAST ONE NITROGEN SUBSTITUTED BY AN HYDROXYALKYL; ANTITUMOR,-CARCINOGENIC,-ARTHRITIC AGENTS CELL THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 US disclosed
CN-1040980-C Second messenger cell signaling inhibitors CELL THERAPEUTICS INC (US) 1998-12-02 CN disclosed
US-5837703-A AUTOIMMUNE DISEASES, ARTHRITIS, CANCER, LEUKEMIA, MULTIPLE SCLEROSIS; ANTITUMOR AGENTS CELL THERAPEUTICS, INC. (US) 1998-11-17 US disclosed
US-5824677-A SUBSTITUTED WITH HETEROCYCLIC RING, ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE CELL THERAPEUTICS, INC. (US) 1998-10-20 US disclosed
US-5801181-A Amino alcohol substituted cyclic compounds CELL THERAPEUTICS, INC. (US) 1998-09-01 US disclosed
US-5780476-A ADMINISTERING TO TREAT INFLAMMATORY DISEASE AND RHEUMATOID ARTHITIS CELL THERAPEUTICS, INC. (US) 1998-07-14 US disclosed
US-5777117-A ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE, CYTOTOXIC AGENTS; MICROBIOCIDES, FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-07-07 US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP disclosed
EP-0669825-A4 HYDROXYL-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-03 EP disclosed
EP-0719267-A4 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 1996-02-16 EP disclosed
US-5470878-A Cell signaling inhibitors CELL THERAPEUTICS, INC. (US) 1995-11-28 US disclosed
EP-0669825-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-09-06 EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP disclosed
WO-1994022863-A9 SECOND MESSENGER CELL SIGNALING INHIBITORS 1994-12-22 WO disclosed
WO-1994022863-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1994-10-13 WO disclosed
WO-1994011001-A1 HYDROXYL-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-05-26 WO disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO disclosed