SCHEMBL30057714

SCHEMBL30057714

COC(=O)c1cc(C)cc(OC2CCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.50
▸ CNR2 P34972 2/20 0.45
▸ KAT6A Q92794 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GRM5 P41594 2/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL26146670 1.00 EPHX2 (0.50) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL26146672 0.97 EPHX2 (0.50) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL30057722 0.97 EPHX2 (0.50) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL21712104 0.91 EPHX2 (0.58) EPHX2MEN1KMT2APARP10ATM
SCHEMBL30054922 0.84 TPMT (0.55) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL26146671 0.84 TPMT (0.55) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL21711801 0.84 EPHX2 (0.47) EPHX2PARP10HSD17B10GRM5SLC7A5
SCHEMBL21609804 0.84 EPHX2 (0.60) EPHX2CNR2MEN1KMT2AHSD17B10
SCHEMBL30055794 0.84 CNR2 (0.44) EPHX2CNR2KAT6AMEN1KMT2A
SCHEMBL26146674 0.84 CNR2 (0.44) EPHX2CNR2KAT6AMEN1KMT2A

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
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 — — CN disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 — — CN disclosed
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