SCHEMBL11086692

SCHEMBL11086692

Cc1ccc(C(=O)C(OCCBr)(OCCBr)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.43
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CES1 P23141 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MMP13 P45452 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL21784946 0.82 NPC1 (0.45) GSK3BNPC1RAB9AMAPTTDP1
SCHEMBL16546892 0.77 CA2 (0.41) NPC1RAB9AMAPTTDP1CA2
SCHEMBL11300332 0.77 NPSR1 (0.51) RAB9AALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9800584 0.76 CES1 (0.65) NPC1RAB9AMAPTTDP1CA2
SCHEMBL18790794 0.76 MAPT (0.40) NPC1RAB9AMAPTTDP1CA2
SCHEMBL11086439 0.76 HPGD (0.52) NPC1RAB9ATDP1ALDH1A1GAA
SCHEMBL18790795 0.75 CES1 (0.54) NPC1RAB9AMAPTTDP1CES1
SCHEMBL11168382 0.72 HPGD (0.51) NPC1RAB9ATDP1CES1ALDH1A1
SCHEMBL10299605 0.71 ALOX15 (0.48) GSK3BNPC1RAB9AMAPTTDP1
SCHEMBL14523011 0.70 THRB (0.48) GSK3BTDP1CES1ALDH1A1SMN1; SMN2

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-4480094-A PHOTOINITIATOR TEIJIN LIMITED (JP) 1984-10-30 — — US disclosed
US-4400519-A PHOTOPOLYMERIZATION INITIATORS TEIJIN LIMITED (JP) 1983-08-23 — — US disclosed
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