SCHEMBL8708359

SCHEMBL8708359

Cc1cc2c(cc1Br)C(C)(C)CCN2C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.44
RARB P10826 2/20 0.44
RXRA P19793 2/20 0.32
HNF4A P41235 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
BCHE P06276 1/20 0.30
CES1 P23141 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
SCHEMBL8293243 0.86 RARA (0.48) RARARARBRXRAHNF4AL3MBTL1
SCHEMBL12715251 0.78 RARA (0.43) RARARARBRXRAHNF4A
SCHEMBL8293242 0.76 RARA (0.48) RARARARBHNF4APOLBPTGS1
SCHEMBL5023386 0.76 RARA (0.41) RARARARBHNF4A
SCHEMBL8700476 0.75 RARB (0.58) RARARARBRXRAHNF4A
SCHEMBL8699677 0.75 RARA (0.44) RARARARB
SCHEMBL9143502 0.75 GABRA1 (0.38) RARARARBHNF4APTGS1PTGS2
SCHEMBL3170254 0.74 RXRA (0.44) RARARARBRXRA
SCHEMBL7709686 0.73 RARA (0.43) RARARARB
SCHEMBL17771779 0.69

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-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 WO disclosed