SCHEMBL11227652

SCHEMBL11227652

CCCCCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.65
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 2/20 0.63
RARA P10276 1/20 0.63
MAPT P10636 1/20 0.63
MTOR P42345 1/20 0.63
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
PLA2G1B P04054 6/20 0.59
ATG4B Q9Y4P1 6/20 0.59
THRA P10827 3/20 0.58
THRB P10828 3/20 0.58
TRPV1 Q8NER1 1/20 0.58
CYP1A2 P05177 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL10997677 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL27845117 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL1534366 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL11239422 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8924573 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL23014696 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9721797 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL10997930 0.98 RARB (0.66) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL4603474 0.95 TRPV1 (0.64) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL31215197 0.93 TRPV1 (0.62) RARBMEN1KMT2AALDH1A1RARA

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-4347383-A BY REACTING BENZOPHENONE-IMINE WITH OXYGEN OR BENZOPHENONE WITH OXYGEN AND AMMONIA MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-08-31 US disclosed