SCHEMBL8374665

SCHEMBL8374665

CCCCCCCCNCC(O)CCCCCCCn1c(=O)ccn(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER3 P43115 1/20 0.44
ADRA2A P08913 1/20 0.36
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR4 O95977 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
EPHX2 P34913 1/20 0.34
TOP2A P11388 2/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CNR2 P34972 3/20 0.33
PDCD4 Q53EL6 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8375311 1.00 PTGER4 (0.44) PTGER4PTGER1PTGER3ADRA2AS1PR2
SCHEMBL7633126 0.93 PTGER1 (0.39) PTGER4PTGER1PTGER3S1PR2S1PR1
SCHEMBL7993479 0.81 ADRA2A (0.38) PTGER4PTGER1PTGER3ADRA2ATOP2A
SCHEMBL8374637 0.81 ADRA2A (0.38) PTGER4PTGER1PTGER3ADRA2ATOP2A
SCHEMBL7610062 0.81 ADRA2A (0.38) PTGER4PTGER1PTGER3ADRA2ATOP2A
SCHEMBL8009084 0.81 ADRA2A (0.38) PTGER4PTGER1PTGER3ADRA2ATOP2A
SCHEMBL8015572 0.80 PTGER1 (0.40) PTGER4PTGER1PTGER3
SCHEMBL9242254 0.79 ALDH1A1 (0.42) ADRA2AALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL8996674 0.79 ADRA2A (0.36) PTGER4PTGER1PTGER3ADRA2ATOP2A
SCHEMBL7606458 0.79 PTGER1 (0.39) PTGER4PTGER1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670507-A Method for reversing multiple drug resistant phenotype CELL THERAPEUTICS, INC. (US) 1997-09-23 US claimed
US-5859018-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; CARDIOVASCULAR DISORDERS CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
US-5856331-A LYSOPHOSPHATIDIC ACYLTRANSFERASE INHIBITOR CELL THERAPEUTICS, INC. (US) 1999-01-05 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-5795898-A ANTITUMOR, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS CELL THERAPEUTICS, INC. (US) 1998-08-18 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-5670507-A Method for reversing multiple drug resistant phenotype CELL THERAPEUTICS, INC. (US) 1997-09-23 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-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
WO-1995013808-A1 METHOD FOR SELECTIVELY INHIBITING IL-2 SIGNAL TRANSDUCTION CELL THERAPEUTICS, INC. (US) 1995-05-26 WO 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