SCHEMBL22923050

SCHEMBL22923050

COC(c1ccccc1)C1(C#N)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
OPRL1 P41146 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
THRB P10828 1/20 0.34
PBRM1 Q86U86 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL31117948 0.93 HIF1A (0.33) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL22923047 0.83 AOC3 (0.35) TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL27675046 0.79 TRPA1 (0.34) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL3360485 0.76 TRPA1 (0.38) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL2436694 0.76 TRPA1 (0.38) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL3362836 0.69 TRPA1 (0.35) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL2467274 0.69 TRPA1 (0.35) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL31429167 0.68 KMT2A (0.39) TSHROPRL1OPRM1OPRD1OPRK1
SCHEMBL4808868 0.68 TRPA1 (0.34) TRPA1TSHROPRL1OPRM1OPRD1
SCHEMBL16391263 0.68 KMT2A (0.47) TSHROPRL1OPRM1OPRK1KMT2A

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
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed