SCHEMBL30043352

SCHEMBL30043352

CC(C)(C#N)Oc1cc(C(=O)O)cc(C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
MGLL Q99685 1/20 0.34
PLA2G2A P14555 1/20 0.33
CREBBP Q92793 1/20 0.33
P2RY14 Q15391 2/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL25185919 1.00 KMO (0.36) KMOMRGPRX4MGLLPLA2G2ACREBBP
SCHEMBL21466186 0.80 AURKA (0.44) KMOMRGPRX4MGLLP2RY14
SCHEMBL29639652 0.80 AURKA (0.44) KMOMRGPRX4MGLLP2RY14
SCHEMBL2952063 0.77 RXRA (0.45) KMOMRGPRX4KMT2A
SCHEMBL30043721 0.77 TPMT (0.48) MRGPRX4PLA2G2AKMT2A
SCHEMBL25185967 0.77 TPMT (0.48) MRGPRX4PLA2G2AKMT2A
SCHEMBL30043822 0.77 PLA2G2A (0.40) MRGPRX4PLA2G2AKMT2A
SCHEMBL25178850 0.77 PLA2G2A (0.40) MRGPRX4PLA2G2AKMT2A
SCHEMBL4392929 0.74 KMO (0.55) KMOMRGPRX4CREBBP
SCHEMBL21609800 0.74 MRGPRX4 (0.41) MRGPRX4PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 CN claimed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 EP claimed
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