SCHEMBL8730892

SCHEMBL8730892

C=C[CH]c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.50
RARG P13631 12/20 0.50
RARA P10276 10/20 0.50
RXRA P19793 10/20 0.47
CYP26A1 O43174 4/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL4585571 0.85 RARB (0.53) RARBRARGRARARXRACYP26A1
SCHEMBL9118270 0.79 RARB (0.48) RARBRARGRARARXRACYP26A1
SCHEMBL15703739 0.79 RARB (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL8731006 0.78 RARB (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL3838099 0.77 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL8902795 0.76 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL8902801 0.76 RARB (0.59) RARBRARGRARARXRACYP26A1
SCHEMBL9118275 0.74 RARB (0.54) RARBRARGRARARXRACYP26A1
SCHEMBL7548252 0.73 RARB (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL7548239 0.73 RARB (0.69) RARBRARGRARARXRACYP26A1

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
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