SCHEMBL10459342

SCHEMBL10459342

CC1(C)CCC(C)(C)c2cc(C(=O)c3ccccc3C(=O)O)ccc21.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.67
RARB P10826 9/20 0.67
RARG P13631 8/20 0.67
RXRB P28702 8/20 0.67
RXRG P48443 6/20 0.67
RARA P10276 6/20 0.62
CYP26A1 O43174 3/20 0.62
CYP26B1 Q9NR63 1/20 0.62
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL2128581 0.99 RXRA (0.68) RXRARARBRARGRXRBRXRG
SCHEMBL29440075 0.99 RXRA (0.68) RXRARARBRARGRXRBRXRG
SCHEMBL10458085 0.97 RXRA (0.67) RXRARARBRARGRXRBRXRG
SCHEMBL8522463 0.90 CDC25B (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL10458188 0.89 CDC25B (0.55) RXRARARBRARGRXRBRXRG
SCHEMBL10458082 0.86 RXRA (0.58) RXRARARBRARGRXRBRXRG
Zinc Ion SCHEMBL10458084 0.84 RXRA (0.57) RXRARARBRARGRXRBRXRG
SCHEMBL7761577 0.84 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL8610553 0.84 RXRA (0.70) RXRARARBRARGRXRBRXRG
SCHEMBL10459341 0.84 RXRA (0.57) RXRARARBRARGRXRBRXRG

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-4898864-A Bicyclic aromatic compounds, a process for their preparation and their use in cosmetics and human and veterinary medicine L'OREAL (FR) 1990-02-06 US claimed
US-4898864-A Bicyclic aromatic compounds, a process for their preparation and their use in cosmetics and human and veterinary medicine L'OREAL (FR) 1990-02-06 US disclosed