SCHEMBL8892652

SCHEMBL8892652

CC1(C)CC=C(Sc2ccccc2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
RXRA P19793 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 2/20 0.31
CDC25A P30304 2/20 0.31
CDC25B P30305 2/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL6294002 0.82 PDE4B (0.41) RARARARBRARGRXRANR2E1
SCHEMBL6292573 0.79 RARB (0.50) RARARARBRARGRXRANR2E1
SCHEMBL6294125 0.78 HPGD (0.47) RARARARBRARGRXRANR2E1
SCHEMBL8893716 0.77 S100A4 (0.39) RARARARBRARGRXRANR2E1
SCHEMBL8561650 0.76 RARA (0.33) RARARARBRARGRXRANR2E1
SCHEMBL6292700 0.75 RARA (0.44) RARARARBRARGRXRANR2E1
SCHEMBL6297168 0.73 RARA (0.40) RARARARBRARGRXRANR2E1
SCHEMBL7859347 0.73 RARA (0.38) RARARARBRARGRXRANR2E1
SCHEMBL6294021 0.73 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL8772575 0.73 RARA (0.68) RARARARBRARGRXRANR2E1

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-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO disclosed