SCHEMBL7935617

SCHEMBL7935617

CC1(C)CCSc2ccc(CO)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.49
RARB P10826 9/20 0.49
RARG P13631 9/20 0.49
RXRA P19793 5/20 0.49
SSTR5 P35346 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP26A1 O43174 3/20 0.42
KMT2A Q03164 1/20 0.41
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CYP26B1 Q9NR63 2/20 0.35
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL18785164 0.85 RARA (0.44) RARARARBRARGRXRASSTR5
SCHEMBL7932915 0.84 RARA (0.43) RARARARBRARGRXRASSTR5
SCHEMBL8328531 0.83 RARA (0.44) RARARARBRARGRXRASSTR5
SCHEMBL6146438 0.82 RARA (0.51) RARARARBRARGRXRASSTR5
SCHEMBL6017426 0.81 RARA (0.47) RARARARBRARGRXRASSTR5
SCHEMBL9188112 0.78 RARA (0.49) RARARARBRARGRXRASSTR5
SCHEMBL30374281 0.77 CYP3A4 (0.69) RARARARBRARGRXRASSTR5
SCHEMBL860637 0.77 CYP3A4 (0.69) RARARARBRARGRXRASSTR5
SCHEMBL8293245 0.76 RARA (0.47) RARARARBRARGRXRASSTR5
SCHEMBL2095481 0.75 RXRA (0.57) RARARARBRARGRXRACYP3A4

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-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP disclosed
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed