SCHEMBL8809982

SCHEMBL8809982

CC1(C)CCC(C)(C)c2cc3c(cc21)C(=O)CCC3=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
RXRA P19793 15/20 0.38
RXRG P48443 8/20 0.38
RXRB P28702 8/20 0.38
RARA P10276 4/20 0.38
RARB P10826 7/20 0.37
RARG P13631 6/20 0.37
PBRM1 Q86U86 1/20 0.36
CYP26A1 O43174 2/20 0.35
CYP26B1 Q9NR63 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
USP7 Q93009 1/20 0.35
CYP3A4 P08684 1/20 0.34
CRABP2 P29373 1/20 0.34

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
SCHEMBL7624438 0.88 PBRM1 (0.44) HIF1AEPAS1RXRARXRGRXRB
SCHEMBL8310387 0.85 RXRA (0.36) HIF1AEPAS1RXRARXRGRXRB
SCHEMBL5705158 0.81 RXRA (0.36) HIF1AEPAS1RXRARXRGRXRB
SCHEMBL6915238 0.81 MEN1 (0.51) HIF1AEPAS1
SCHEMBL3061673 0.79 RXRA (0.39) RXRARXRGRXRBRARARARB
SCHEMBL8809126 0.78 KDM4E (0.53) RXRARXRGRXRBRARARARB
SCHEMBL2194526 0.78 MAOB (0.46) RXRARXRGRARA
SCHEMBL8810467 0.77 CDC25B (0.41) HIF1AEPAS1RXRARXRGRXRB
SCHEMBL15665861 0.76 RXRA (0.41) RXRARXRGRXRBRARARARB
SCHEMBL8447443 0.75 PBRM1 (0.44) HIF1AEPAS1PBRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1173497-A Heterocycle-containing carbonic acid derivatives EISAI CO LTD (JP) 1998-02-18 CN disclosed
EP-0638071-B1 HETEROCYCLIC CARBONIC ACID DERIVATIVES WHICH BIND TO RETINOID RECEPTORS (RAR) EISAI CO LTD (JP) 1997-04-09 EP disclosed
US-5612356-A RETINOID ANTAGONISTS EISAI CO., LTD. (JP) 1997-03-18 US disclosed
CN-1094052-A Heterocyclic ring-containing carbonic acid derivatives EISAI CO LTD (JP) 1994-10-26 CN disclosed
WO-1994014777-A1 HETEROCYCLIC CARBONIC ACID DERIVATIVES WHICH BIND TO RETINOID RECEPTORS (RAR) EISAI CO., LTD. (JP) 1994-07-07 WO disclosed