SCHEMBL8189489

SCHEMBL8189489

COC(=O)/C=C/c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.54
RARB P10826 5/20 0.54
RARA P10276 4/20 0.54
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXRA P19793 17/20 0.42
RXRB P28702 11/20 0.42
RXRG P48443 11/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL8189493 1.00 RARG (0.54) RARGRARBRARAALDH1A1MAPT
SCHEMBL7879831 0.86 RARG (0.52) RARGRARBRARARXRARXRB
SCHEMBL7879827 0.86 RARG (0.52) RARGRARBRARARXRARXRB
SCHEMBL7879841 0.83 RARG (0.62) RARGRARBRARAMEN1KMT2A
SCHEMBL7879838 0.83 RARG (0.62) RARGRARBRARAMEN1KMT2A
SCHEMBL7878427 0.82 RARG (0.57) RARGRARBRARAMEN1KMT2A
SCHEMBL7878425 0.82 RARG (0.57) RARGRARBRARAMEN1KMT2A
SCHEMBL12808522 0.81 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6875751 0.79 ALDH1A1 (0.51) RARGRARBRARAALDH1A1MAPT
SCHEMBL7876464 0.78 CYP26A1 (0.47) RARGRARBRARAMEN1KMT2A

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-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed