SCHEMBL8664984

SCHEMBL8664984

COC(C(=O)O)c1ccc(OC2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.58
PRSS1 P07477 7/20 0.58
PRSS2 P07478 7/20 0.58
PRSS3 P35030 7/20 0.58
PLG P00747 3/20 0.51
SRD5A1 P18405 1/20 0.47
RORC P51449 1/20 0.46
ACACB O00763 6/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NAMPT P43490 1/20 0.44
EPHX2 P34913 1/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL8668191 0.89 F10 (0.50) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7359427 0.84 GPR119 (0.60) F10PRSS1PRSS2PRSS3PLG
SCHEMBL18672909 0.82 MEN1 (0.56) F10PRSS1PRSS2PRSS3PLG
SCHEMBL2091338 0.79 EPHX2 (0.57) SRD5A1RORCCYP4F2CYP4A11NAMPT
SCHEMBL9013886 0.78 CASP6 (0.53) F10PRSS1PRSS2PRSS3PLG
SCHEMBL16220677 0.78 EPHX2 (0.56) RORCCYP4F2CYP4A11NAMPTEPHX2
SCHEMBL24596887 0.76 CYP4F2 (0.51) F10PRSS1PRSS2PRSS3SRD5A1
SCHEMBL2096831 0.76 EPHX2 (0.55) ACACBCYP4F2CYP4A11NAMPTEPHX2
SCHEMBL31370640 0.76 ALDH1A1 (0.55) SRD5A1RORCCYP4F2CYP4A11NAMPT
Hydrochloric Acid SCHEMBL9014030 0.76 CASP6 (0.51) F10PRSS1PRSS2PRSS3PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756504-A TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0751773-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0751773-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-08 EP disclosed
US-5464788-A Stopping labor MERCK & CO., INC. (US) 1995-11-07 US disclosed
WO-1995025443-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-28 WO disclosed