SCHEMBL7606566

SCHEMBL7606566

Cc1cn(C)c(=O)n(CCCCCCO)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.37
PDE4A P27815 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL8071799 1.00 TRPC5 (0.43) TRPC5TDP1MAPTTSHRKDM4E
SCHEMBL9117929 0.86 HSD17B10 (0.42) TRPC5MAPTTSHRKDM4EMEN1
SCHEMBL27338495 0.85 ADORA2B (0.47) TDP1MAPTKDM4ECNR2PDE4A
SCHEMBL7994402 0.82 ACLY (0.33) TRPC5TSHRCNR2
SCHEMBL8018065 0.81 LMNA (0.36) TRPC5TDP1MAPTTSHRKDM4E
SCHEMBL8070923 0.81 LMNA (0.36) TRPC5TDP1MAPTTSHRKDM4E
SCHEMBL7834052 0.81 PDE4A (0.40) TRPC5TDP1PDE4AADORA2AADORA2B
SCHEMBL9123408 0.81 PDE4A (0.52) MAPTTSHRCNR2PDE4AADORA2A
SCHEMBL7604999 0.80 TSHR (0.33) TRPC5MAPTTSHRKDM4EMEN1
SCHEMBL8006375 0.80 KDM4E (0.35) TRPC5MAPTTSHRKDM4ECNR2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP claimed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP claimed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO claimed
EP-0719267-B1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS INC (US) 2002-07-31 EP 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
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-5777117-A ANTIINFLAMMATORY, IMMUNOSUPPRESSIVE, CYTOTOXIC AGENTS; MICROBIOCIDES, FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-07-07 US disclosed
US-5750575-A ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANTS; CYTOTOXIC AGENTS; MICROBIOCIDES; FUNGICIDES CELL THERAPEUTICS, INC. (US) 1998-05-12 US disclosed
US-5641783-A ANTIINFLAMMATORY OR IMMUNOSUPPRESSIVE AGENTS CELL THERAPEUTICS, INC. (US) 1997-06-24 US disclosed
EP-0719267-A1 SECOND MESSENGER CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 1996-07-03 EP disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 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-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-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO disclosed