SCHEMBL8561892

SCHEMBL8561892

C=Cc1ccc(C(=O)O)c(-c2cccc3c2C(S(=O)(=O)c2ccccc2)=CCC3(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
RARA P10276 3/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
RXRA P19793 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
MYC P01106 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL6292880 0.73 RARA (0.49) RARARARBRARGRXRANR2E1
SCHEMBL6292881 0.73 RARA (0.49) RARARARBRARGRXRANR2E1
SCHEMBL8165227 0.70 HTR2A (0.36) RARARARBRARGRXRANR2E1
SCHEMBL8644020 0.67 RARA (0.37) RARARARBRARGRXRANR2E1
SCHEMBL8644015 0.67 PPARG (0.45) RARARARBRARGRXRANR2E1
SCHEMBL8772736 0.67 RARB (0.38) MCL1RARARARBRARGRXRA
SCHEMBL31470216 0.66 MCL1 (0.48) MCL1MYCALDH1A1LMNA
SCHEMBL8772731 0.64 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL8561897 0.63 RARA (0.40) RARARARBRARGRXRANR2E1
SCHEMBL9295862 0.62 RARA (0.46) 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
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed