SCHEMBL31461508

SCHEMBL31461508

COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](C)NC(=O)CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MMP1 P03956 9/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ MMP3 P08254 3/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ ADAM17 P78536 1/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ PSMB8 P28062 3/20 0.45
▸ PSMB5 P28074 2/20 0.45
▸ PSMB1 P20618 1/20 0.45
▸ PSMB9 P28065 1/20 0.45

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
SCHEMBL31461502 0.87 HDAC1 (0.47) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL31461503 0.82 ALDH1A1 (0.56) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL31461507 0.82 ALDH1A1 (0.56) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL16463914 0.81 KLK5 (0.53) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL16463916 0.81 KLK5 (0.53) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL16462269 0.81 ALDH1A1 (0.54) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL22275440 0.80 MMP1 (0.47) TSHRALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16462267 0.80 ALDH1A1 (0.53) TSHRALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16462270 0.80 ALDH1A1 (0.53) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL31461565 0.80 PSMB8 (0.58) PSMB8PSMB5PSMB1PSMB9PSMB10

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
WO-2025092827-A1 EPOXY COMPOUND AND USE THEREOF 上海汇伦医药股份有限公司 2025-05-08 — — WO disclosed
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