SCHEMBL31307682

SCHEMBL31307682

C=C(C)COc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.61
HSD17B10 Q99714 1/20 0.57
PLA2G4B P0C869 6/20 0.57
RARB P10826 5/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
GPR174 Q9BXC1 1/20 0.54
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PLA2G4A P47712 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL3315342 0.95 PLA2G4B (0.62) SRD5A2HSD17B10PLA2G4BGPR174POLB
SCHEMBL5931918 0.86 GPR174 (0.53) SRD5A2LMNAMAPTGPR174POLB
SCHEMBL21470020 0.84 KMT2A (0.50) SRD5A2HSD17B10LMNAMAPTGPR174
SCHEMBL2429681 0.82 GPR174 (0.59) HSD17B10LMNAMAPTGPR174POLB
SCHEMBL11057029 0.82 GPR174 (0.55) SRD5A2PLA2G4BLMNAMAPTGPR174
SCHEMBL104013 0.82 L3MBTL1 (0.63) LMNAMAPTGPR174POLB
SCHEMBL12302172 0.80 PLA2G4B (0.66) SRD5A2HSD17B10PLA2G4BPLA2G4APKM
SCHEMBL1065069 0.80 GPR174 (0.61) SRD5A2LMNAMAPTGPR174HTT
SCHEMBL10338925 0.80 GPR174 (0.58) HSD17B10LMNAMAPTGPR174POLB
SCHEMBL9499699 0.80 HTT (0.59) HSD17B10PLA2G4BRARBPOLBAPEX1

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-119301164-A Atropisomers of 1,1' -binaphthyl derivatives, polymerizable liquid crystal compositions, optical films, image display devices and glasses 日本化药株式会社 2025-01-10 CN disclosed