SCHEMBL7708985

SCHEMBL7708985

Cc1ccc2c(c1)C=C(C(=O)O)C(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
ACHE P22303 1/20 0.36
PTGS1 P23219 4/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
SRD5A1 P18405 2/20 0.34
NOTUM Q6P988 1/20 0.34
CCR2 P41597 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7714688 0.88 PTGS2 (0.41) PTGS2ACHEPTGS1ALDH1A1CYP3A4
SCHEMBL7716874 0.76 TMPRSS2 (0.30) PTGS2
SCHEMBL7708884 0.75 SRD5A1 (0.40) PTGS2PTGS1SRD5A1NOTUM
SCHEMBL7716876 0.75 PTGS2 (0.31) PTGS2
SCHEMBL24076754 0.73 PTGS2 (0.44) PTGS2ALDH1A1
SCHEMBL7708915 0.71 ACHE (0.36) ACHEALDH1A1NOTUMCCR2
SCHEMBL7708902 0.71 L3MBTL1 (0.36) PTGS2PTGS1ALDH1A1CCR2
SCHEMBL10352783 0.67 CCR5 (0.39) ALDH1A1NOTUM
SCHEMBL9526750 0.67 PTGS2 (0.46) PTGS2PTGS1ALDH1A1CSNK2A1MEN1
SCHEMBL6958447 0.67 SRC (0.40) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed