SCHEMBL10601596

SCHEMBL10601596

CCCc1cc(C(=O)CC)cc(CCC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.63
PPARA Q07869 13/20 0.63
MTNR1A P48039 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HMGCR P04035 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
DHFR P00374 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
SCHEMBL10603556 0.87 PPARA (0.47) PPARGPPARAMTNR1AALDH1A1HMGCR
SCHEMBL4012223 0.79 PPARG (0.55) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL9720532 0.76 ALDH1A1 (0.61) PPARGPPARAALDH1A1HMGCRKDM4E
SCHEMBL3407396 0.76 MEN1 (0.65) ALDH1A1HMGCRKDM4EMEN1KMT2A
SCHEMBL3546860 0.75 TPMT (0.58) PPARGPPARAALDH1A1HMGCRKDM4E
SCHEMBL25292370 0.74 TPMT (0.56) PPARGPPARAALDH1A1HMGCRKDM4E
SCHEMBL6580876 0.74 MAPT (0.44) PPARGPPARAALDH1A1HMGCRKDM4E
SCHEMBL26810030 0.74 TPMT (0.51) ALDH1A1KDM4EMEN1KMT2ABAZ2B
SCHEMBL4013883 0.74 PPARA (0.82) PPARGPPARA
SCHEMBL8473100 0.73 HMGCR (0.44) PPARGPPARAALDH1A1HMGCRKDM4E

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-0173279-B1 2-(3,5-DIALKYL-4-HYDROXYPHENYL)INDOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-08-23 EP disclosed
US-4695581-A LIPOXYGENASE INHIBITOR TEIKOKU HORMONE MFG. CO., LTD. (JP) 1987-09-22 US disclosed
EP-0173279-A1 2-(3,5-Dialkyl-4-hydroxyphenyl)indole derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-03-05 EP disclosed