SCHEMBL8305680

SCHEMBL8305680

Cc1ccccc1OCc1c(C)cccc1C(C)(C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.49
▸ RXRB P28702 2/20 0.49
▸ RXRG P48443 2/20 0.49
▸ SLC22A12 Q96S37 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SGMS2 Q8NHU3 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL17328307 0.75 RXRA (0.49) RXRARXRBRXRGPOLBMEN1
SCHEMBL5850317 0.71 CYP2C9 (0.67) RXRARXRBRXRGPOLBMEN1
SCHEMBL960144 0.70 SLC22A12 (0.62) RXRARXRBRXRGSLC22A12SGMS2
SCHEMBL16385271 0.69 RXRA (0.52) RXRARXRBRXRGSLC22A12ALDH1A1
Acetic Acid SCHEMBL28238681 0.69 RXRA (0.73) RXRARXRBRXRGALDH1A1NOTUM
SCHEMBL28084226 0.69 CDK4 (0.46) RXRARXRBRXRGMEN1KMT2A
SCHEMBL28735229 0.69 NPSR1 (0.47) RXRARXRBRXRGSLC22A12POLB
SCHEMBL8305676 0.69 RXRA (0.48) RXRARXRBRXRGPOLBMEN1
SCHEMBL12894353 0.68 CDK4 (0.44) RXRARXRBRXRGMEN1KMT2A
SCHEMBL31215389 0.68 PTGER1 (0.55) RXRARXRBRXRGSLC22A12ALDH1A1

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
EP-0729461-B1 FUNGICIDAL CYCLIC AMIDES DU PONT (US) 1999-11-24 — — EP disclosed
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