SCHEMBL28054268

SCHEMBL28054268

COC(=O)c1cccc(C(=O)Oc2nc[nH]n2)c1.[H+]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ KDM3A Q9Y4C1 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL28263448 0.91 KDM4E (0.37) CREBBPKDM4ETSHRALDH1A1L3MBTL1
SCHEMBL28263450 0.85 KDM4E (0.41) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL28183103 0.78 HSD17B10 (0.38) CDK8KDM4EALDH1A1MAPTALOX15
Ammonia Solution, Strong SCHEMBL28681505 0.76 TSHR (0.64) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL34953 0.76 TSHR (0.70) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL27956762 0.75 LOXL2 (0.44) CREBBPLOXL2CDK8CYP4F2CYP4A11
SCHEMBL8054504 0.74 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRRAB9A
Ammonia Solution, Strong SCHEMBL28556515 0.74 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL29966404 0.74 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRRAB9A
Methyl Alcohol SCHEMBL28469619 0.74 TSHR (0.67) LOXL2CYP4F2CYP4A11TSHRRAB9A

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-103239720-B Treatment or lenitive material SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-16 — — CN disclosed
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