SCHEMBL8026053

SCHEMBL8026053

COC(=O)c1ccc(C=Cc2ccc3c(c2)C(C(C)C)=CCC3(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.53
RARB P10826 8/20 0.53
RARG P13631 8/20 0.53
RXRA P19793 1/20 0.53
NR2E1 Q9Y466 1/20 0.53
PTPN1 P18031 1/20 0.47
VDR P11473 3/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
S1PR4 O95977 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
THRB P10828 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
SCHEMBL8032218 0.87 RARA (0.68) RARARARBRARGRXRANR2E1
SCHEMBL8026631 0.85 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL8031336 0.85 CYP3A4 (0.40) RARARARBRARGRXRANR2E1
SCHEMBL6810969 0.84 RARA (0.50) RARARARBRARGRXRANR2E1
SCHEMBL8026052 0.83 RARB (0.41) RARARARBRARGRXRANR2E1
SCHEMBL7800448 0.81 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL7800444 0.81 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL7800427 0.81 RARB (0.60) RARARARBRARGRXRANR2E1
SCHEMBL8026108 0.81 RARA (0.80) RARARARBRARGRXRANR2E1
SCHEMBL7807064 0.80 RARA (0.64) 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-2000059861-A1 SELECTIVE RETINOIC ACID ANALOGS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-12 WO disclosed