SCHEMBL11219985

SCHEMBL11219985

CCOc1cc(OCC)c2cc(C(=O)c3cccs3)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
HPGD P15428 6/20 0.49
NPC1 O15118 4/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 7/20 0.44
KMT2A Q03164 7/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 4/20 0.43
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL6838345 0.85 ALDH1A1 (0.51) RAB9AHPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL8376236 0.84 HPGD (0.53) RAB9AHPGDNPC1TSHRALDH1A1
SCHEMBL52081 0.82 ALDH1A1 (0.68) RAB9AHPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL11096112 0.80 POLB (0.54) RAB9AHPGDNPC1TSHRALDH1A1
SCHEMBL194000 0.79 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11564602 0.77 ALDH1A1 (0.53) RAB9ANPC1TSHRALDH1A1SMN1; SMN2
SCHEMBL11563889 0.76 ALDH1A1 (0.52) RAB9AHPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL29253118 0.76 ALDH1A1 (0.62) RAB9AHPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL52567 0.73 ALDH1A1 (0.49) RAB9AHPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL6836185 0.72 MAOB (0.49) RAB9AHPGDNPC1TSHRALDH1A1

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-4289844-A 3-KETO-COUMARIN DERIVATIVES, HIGH SPEED EASTMAN KODAK COMPANY (US) 1981-09-15 US claimed
EP-0022188-A2 Co-initiator compositions for photopolymerization containing 3-acyl-substituted coumarins, photopolymerizable composition and photographic element EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-01-14 EP claimed
US-4366228-A 3-KETOCOUMARIN DERIVATIVES AS PHOTOSENSITIZERS; ALPHA-PHENYLOXYALKYLENECARBOXYLIC ACIDS AS ACTIVATORS; HIGH SPEED EASTMAN KODAK COMPANY (US) 1982-12-28 US disclosed
US-4289844-A 3-KETO-COUMARIN DERIVATIVES, HIGH SPEED EASTMAN KODAK COMPANY (US) 1981-09-15 US disclosed
EP-0022188-A2 Co-initiator compositions for photopolymerization containing 3-acyl-substituted coumarins, photopolymerizable composition and photographic element EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-01-14 EP disclosed