SCHEMBL7064610

SCHEMBL7064610

COc1ccc(-c2c(C)[c]ccc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ACHE P22303 1/20 0.40
ESR2 Q92731 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3992773 0.80 ACHE (0.35) PTGS2ACHEKDM4ETDP1MAPK1
SCHEMBL17180554 0.77 TAAR1 (0.38) PTGS2MAPTTDP1MAPK1NPC1
SCHEMBL1980538 0.77 ACHE (0.36) PTGS2ACHEKDM4ENPC1RAB9A
SCHEMBL439377 0.76 BRD4 (0.37) PTGS2ACHEMAPTKDM4ETP53
SCHEMBL12843389 0.74 SYK (0.53) PTGS2CA12CA1CA2CA7
SCHEMBL20323072 0.72 CA1 (0.69) PTGS2CA12CA1CA2CA7
SCHEMBL2525468 0.71 ALDH1A1 (0.33) ACHEALDH1A1HEXAHEXB
SCHEMBL1645683 0.70 CA12 (0.41) PTGS2CA12CA1CA2CA7
SCHEMBL4561266 0.70 ABL1 (0.50) PTGS2CA12CA1CA2CA7
SCHEMBL4275475 0.70 HPGDS (0.40) PTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990516-B1 Processless direct write printing plate and methods of imaging and printing KODAK POLYCHROME GRAPHICS LLC (US) 2003-05-28 EP disclosed
US-20020042022-A1 Alkylphenylbisacylphosphine oxides and photoinitiator mixtures LEPPARD DAVID GEORGE (CH) 2002-04-11 US disclosed
US-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed