SCHEMBL29249083

SCHEMBL29249083

O=C(O)CC(SS)SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
AKR1B1 P15121 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
EPHX1 P07099 2/20 0.38

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
SCHEMBL28378570 0.79 CYP2C19 (0.40) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL6467489 0.75 CYP2C19 (0.46) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL7540831 0.75 CYP2C19 (0.63) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL27862584 0.75 PPARG (0.48) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL31271035 0.74 TSHR (0.52) POLBSMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL4016741 0.74 PDPK1 (0.47) CYP2C19CPA1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL6467921 0.74 IDO1 (0.45) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL6576148 0.72 CYP2C19 (0.43) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL27878876 0.72 CYP2C19 (0.46) CYP2C19CPA1CPB1CPA3CPB2
SCHEMBL28471590 0.71 CYP2C19 (0.42) CYP2C19CPA1CPB1CPA3CPB2

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-112961570-B Environment-friendly underwater toughened epoxy resin adhesive and preparation method thereof 杭州每步材料科技有限公司 2024-07-12 CN disclosed