SCHEMBL30152263

SCHEMBL30152263

CCc1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
S1PR1 P21453 6/20 0.46
PRKCI P41743 1/20 0.45
TRPA1 O75762 1/20 0.44
BCL2 P10415 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
MGLL Q99685 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL283086 1.00 ENPP2 (0.50) ENPP2TP53TSHRPRSS1PRSS2
SCHEMBL12284517 0.93 ENPP2 (0.45) ENPP2TP53TSHRPRSS1PRSS2
SCHEMBL12826421 0.89 PRKCI (0.60) ENPP2TP53TSHRPRSS1PRSS2
Hydrogen Peroxide SCHEMBL11520377 0.87 TP53 (0.63) TP53TRPA1BCL2CYP1A2CYP2A6
Methyl Alcohol SCHEMBL28745884 0.87 TP53 (0.55) TP53TRPA1BCL2CYP1A2CYP2A6
SCHEMBL123838 0.87 TSHR (0.61) ENPP2TSHRPRSS1PRSS2PRSS3
SCHEMBL166894 0.87 TP53 (0.61) TP53TRPA1BCL2CYP1A2CYP2A6
SCHEMBL8143762 0.84 S1PR1 (0.41) ENPP2PRSS1PRSS2PRSS3S1PR1
Benzene SCHEMBL9785236 0.84 TP53 (0.67) TP53TRPA1BCL2CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL14334287 0.84 ENPP2 (0.58) ENPP2TSHRPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO claimed
WO-2025053791-A1 ONE-POT GRAFTING OF POLYMERS FROM ALCOHOLS AND BIOMASSES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed