SCHEMBL29110451

SCHEMBL29110451

Cc1ccc(C)c(C2OO2)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL5494672 0.65 TSHR (0.45) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL37955 0.65 TSHR (0.45) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL11817038 0.64 LMNA (0.34)
SCHEMBL9197497 0.63 AKT1 (0.47) TSHRTDP2NSD2HSP90AA1PAX8
SCHEMBL9946128 0.63
SCHEMBL6973683 0.63 NSD2 (0.40) TSHRNSD2
SCHEMBL10346182 0.62 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL5181689 0.62 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL571577 0.62 TSHR (0.43) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL23374860 0.60 ACHE (0.36)

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-113874588-B Antistatic transparent grating 申智媛 2023-11-17 CN disclosed