SCHEMBL9587288

SCHEMBL9587288

CC1(C)CCC(C)(C)c2cc(C(=O)CCC(N)=O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.56
CYP26A1 O43174 5/20 0.56
CYP26B1 Q9NR63 2/20 0.56
RXRA P19793 12/20 0.54
RARB P10826 12/20 0.54
RARG P13631 11/20 0.54
RXRB P28702 9/20 0.54
RXRG P48443 6/20 0.54
RARA P10276 9/20 0.51
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47

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
SCHEMBL9588198 0.86 CYP26A1 (0.60) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL9588044 0.85 CYP26A1 (0.59) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL7218543 0.84 CYP3A4 (0.58) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL9587941 0.84 CYP3A4 (0.54) CYP3A4CYP26A1CYP26B1RXRARARB
Zinc Ion SCHEMBL9588041 0.84 CYP3A4 (0.54) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL9184959 0.83 CYP3A4 (0.57) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL9189898 0.83 CYP3A4 (0.59) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL19072651 0.82 CYP3A4 (0.63) CYP3A4CYP26A1CYP26B1RXRARARB
SCHEMBL5367554 0.82 CYP3A4 (0.56) CYP3A4CYP26A1CYP26B1RXRARARB
Hydrochloric Acid SCHEMBL9182357 0.81 CYP3A4 (0.58) CYP3A4CYP26A1CYP26B1RXRARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194663-A Antilipemic agents for skins SOCIETE ANONYME DITE: L'OREAL (FR) 1993-03-16 US disclosed
US-5068393-A Reaction under friedel crafts reaction an acid anhydride with a bicyclic aromatic compound SOCIETE ANONYME DITE: L'OREAL (FR) 1991-11-26 US disclosed