SCHEMBL27316601

SCHEMBL27316601

COC(=O)c1cccc(C(=O)OC[SH](=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CYP4F2 P78329 2/20 0.51
▸ CYP4A11 Q02928 2/20 0.51
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL27449134 0.83 NPC1 (0.52) TSHRRAB9AKDM4EMAPTPOLB
SCHEMBL34953 0.82 TSHR (0.70) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL5166543 0.81 CYP4F2 (0.58) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL29966404 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL28556515 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
Methyl Alcohol SCHEMBL28469619 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
Lithium SCHEMBL29634258 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL8054504 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL10941453 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1
SCHEMBL9943503 0.80 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039904-C Herbicides RHONE POULENC AGRICULTURE (GB) 1998-09-23 — — CN disclosed
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