SCHEMBL31352142

SCHEMBL31352142

O=C(NC1CC[C@@H]2O[C@@H]2C1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.61
DPP4 P27487 7/20 0.56
DPP7 Q9UHL4 7/20 0.56
KCNH2 Q12809 4/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
EPHX1 P07099 1/20 0.54
TLR4 O00206 1/20 0.54
HSD11B1 P28845 1/20 0.50
CPB1 P15086 1/20 0.49

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
SCHEMBL29641476 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL30151906 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL28423164 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL26342518 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL12466316 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL12465859 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL12465860 1.00 ALDH1A1 (0.64) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15415863 0.92 ALDH1A1 (0.62) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL30703141 0.92 ALDH1A1 (0.62) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3948456 0.84 ALDH1A1 (0.85) ALDH1A1GAATSHRDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737449-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2026-05-06 EP disclosed
WO-2025002177-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 长春金赛药业有限责任公司 2025-01-02 WO disclosed