SCHEMBL9254249

SCHEMBL9254249

CCOC(=O)C(Br)(CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ CHRM2 P08172 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ CHRM3 P20309 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KCNN4 O15554 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 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
SCHEMBL2422372 0.83 PIN1 (0.54) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL7646732 0.83 PIN1 (0.54) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL2420371 0.83 PIN1 (0.54) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL21659699 0.83 KCNN4 (0.60) ALDH1A1TSHRPOLBCHRM2CHRM1
SCHEMBL28970082 0.81 CHRM2 (0.65) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL9725190 0.81 PIN1 (0.53) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL5474434 0.81 PIN1 (0.53) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL8483586 0.81 PIN1 (0.53) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL10745657 0.81 PIN1 (0.53) PIN1ALDH1A1RECQLMMP8TSHR
SCHEMBL5639395 0.81 PIN1 (0.56) PIN1ALDH1A1RECQLMMP8TSHR

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
CN-119591509-A Synthesis method of trimebutine intermediate and trimebutine maleate 五峰赤诚生物科技股份有限公司 2025-03-11 — — CN claimed
CN-119591509-A Synthesis method of trimebutine intermediate and trimebutine maleate 五峰赤诚生物科技股份有限公司 2025-03-11 — — CN disclosed
US-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 — — US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 — — US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 — — US disclosed
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