SCHEMBL7189567

SCHEMBL7189567

Cc1ccc(-c2ccc(P)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
PTGS1 P23219 2/20 0.40
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
ENPP1 P22413 1/20 0.33
COMT P21964 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP7 Q93009 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
SCHEMBL15519390 0.88 PTGS2 (0.47) PTGS2PTGS1ACHETDP1HEXA
Iodide SCHEMBL11797995 0.82 ACHE (0.55) PTGS2ACHENPC1RAB9A
SCHEMBL380556 0.80 ENPP1 (0.41) PTGS2PTGS1ACHETDP1HEXA
SCHEMBL28139840 0.79 NPC1 (0.47) PTGS2PTGS1ACHETDP1NPC1
SCHEMBL30516191 0.76 LMNA (0.40)
SCHEMBL2464416 0.76 LMNA (0.40)
SCHEMBL9496386 0.76 COMT (0.46) PTGS2PTGS1ACHETDP1COMT
SCHEMBL7901498 0.76 PTGS2 (0.40) PTGS2PTGS1ACHETDP1HEXA
SCHEMBL38650926 0.74 SENP1 (0.43) PTGS2PTGS1ACHETDP1HEXA
SCHEMBL25682130 0.74 MAOB (0.39) PTGS2PTGS1ACHETDP1COMT

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-0906941-B1 WEATHER-RESISTANT RESIN COMPOSITION FOR POWDER COATING NISSAN CHEMICAL IND LTD (JP) 2003-08-13 EP disclosed
US-6084035-A BIS(BETA-METHYLGLYCIDYL)TEREPHTHALATE CURING AGENT, CARBOXYL GROUP-CONTAINING RESIN, AND A RING-OPENING POLYMERIZATION INHIBITOR SELECTED FROM A COMPOUND HAVING AN AMIDINE LINKAGE, TRIARYLPHOSPHINES, AND ONIUM SALTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-04 US disclosed
EP-0906941-A1 WEATHER-RESISTANT RESIN COMPOSITION FOR POWDER COATING NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-04-07 EP disclosed