SCHEMBL9156778

SCHEMBL9156778

O=C(O)c1cc(-c2cc(C(=O)OC(=O)c3cc(-c4cc(C(=O)O)c(C(=O)O)c(C(F)(F)F)c4)cc(C(F)(F)F)c3C(=O)O)c(C(=O)O)c(C(F)(F)F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 1/20 0.38
▸ RXRA P19793 3/20 0.38
▸ RXRB P28702 3/20 0.38
▸ AKR1C2 P52895 2/20 0.37
▸ AKR1C1 Q04828 2/20 0.37
▸ RXRG P48443 2/20 0.36
▸ CES2 O00748 1/20 0.34
▸ LDHA P00338 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ FABP4 P15090 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ EPRS1 P07814 1/20 0.32
▸ KMO O15229 1/20 0.31
▸ CFTR P13569 1/20 0.31

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
SCHEMBL29404413 0.90 ASPH (0.44) ASPHRXRARXRBAKR1C2AKR1C1
SCHEMBL1098875 0.90 ASPH (0.44) ASPHRXRARXRBAKR1C2AKR1C1
Water SCHEMBL25435119 0.88 ASPH (0.43) ASPHRXRARXRBAKR1C2AKR1C1
Ether SCHEMBL9156776 0.81 RXRA (0.39) ASPHRXRARXRBAKR1C2AKR1C1
SCHEMBL9156726 0.81 AKR1C2 (0.39) RXRARXRBAKR1C2AKR1C1RXRG
SCHEMBL3176700 0.75 ASPH (0.41) ASPHAKR1C2CES2KDM4EALDH1A1
SCHEMBL8037311 0.74 CES2 (0.47) ASPHRXRARXRBAKR1C2RXRG
SCHEMBL1635186 0.73 ASPH (0.46) ASPHAKR1C2CES2KDM4EALDH1A1
SCHEMBL3194800 0.73 ASPH (0.42) ASPHAKR1C2CES2KDM4EALDH1A1
SCHEMBL8921785 0.72 LDHA (0.39) ASPHRXRARXRBRXRGCES2

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-0373952-B1 Photosensitive resin composition and photosensitive element using the same HITACHI CHEMICAL CO LTD (JP) 1995-02-08 — — EP disclosed
US-5262277-A Light sensitive elements for electrical thick films with heat resistance HITACHI CHEMICAL COMPANY, INC. (JP) 1993-11-16 — — US disclosed
EP-0373952-A2 Photosensitive resin composition and photosensitive element using the same Hitachi Chemical Co., Ltd. (JP) 1990-06-20 — — EP disclosed
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