SCHEMBL23570085

SCHEMBL23570085

CC1(Cc2cc(C(=O)O)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.45
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ USP2 O75604 5/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR4A2 P43354 2/20 0.37
▸ SRD5A2 P31213 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL23570086 0.84 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL23531157 0.84 MRGPRX4 (0.46) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL23570087 0.82 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL23570081 0.79 MRGPRX4 (0.43) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL17897037 0.78 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL23570088 0.77 TPMT (0.50) MRGPRX4RXRARXRBRXRGTSHR
SCHEMBL27761970 0.76 RXRA (0.53) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL17896574 0.75 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL16019241 0.75 MRGPRX4 (0.49) MRGPRX4RXRARXRBRXRGCES2
SCHEMBL2993355 0.74 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGCES2

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
WO-2021122645-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-24 — — WO disclosed
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