SCHEMBL8899696

SCHEMBL8899696

CC1(C)CCC(C)(C)c2cc(C(O)C3CC3)c(OCc3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.40
RXRA P19793 2/20 0.40
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 2/20 0.37
LIPE Q05469 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HIF1A Q16665 1/20 0.36
PPARG P37231 1/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ALPG P10696 1/20 0.35
PTK2B Q14289 1/20 0.35

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
SCHEMBL8915164 0.82 HNF4A (0.38) HNF4ARXRAMAPTMAPK1TDP1
SCHEMBL6917161 0.76 MAOB (0.55) HNF4ARXRAMAPTTDP1L3MBTL1
SCHEMBL6473706 0.74 LIPE (0.56) HNF4ARXRALIPEMAPTMAPK1
SCHEMBL6477273 0.73 HTR2A (0.47) HNF4ARXRALIPEMAPTMAPK1
SCHEMBL6918873 0.73 RXRA (0.45) HNF4ARXRACYP26A1CYP26B1LIPE
SCHEMBL6916114 0.72 LIPE (0.40) HNF4ARXRALIPEMAPTMAPK1
SCHEMBL6915309 0.71 RXRA (0.43) HNF4ARXRACYP26A1CYP26B1LIPE
SCHEMBL31528235 0.70 KDM4E (0.41) LIPECYP3A4HTR2CKDM1ARAB9A
SCHEMBL6033110 0.70 L3MBTL1 (0.41) HNF4ARXRALIPEMAPTMAPK1
SCHEMBL8525570 0.69 RARG (0.53) RXRA

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-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed