SCHEMBL9103547

SCHEMBL9103547

CCc1c(OC)cccc1C(=O)N(NC(C)(C)C#N)C(=O)c1cc(OC)c(C)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
LPAR1 Q92633 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL9101226 0.92 ABCB1 (0.47) ABCB1NPC1RAB9A
SCHEMBL2482845 0.81 ABCB1 (0.51) ABCB1NPC1RAB9A
SCHEMBL17025770 0.80 ABCB1 (0.40) ABCB1LPAR1MEN1KMT2ARXFP1
SCHEMBL5064290 0.80 ABCB1 (0.53) ABCB1MEN1KMT2ARXFP1EED
SCHEMBL17025742 0.79 ABCB1 (0.39) ABCB1LPAR1MEN1KMT2ARXFP1
SCHEMBL9232983 0.77 ABCB1 (0.48) ABCB1NPC1RAB9A
SCHEMBL18091865 0.76 NPC1 (0.48) ABCB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL17416629 0.75 CTSD (0.43) RXFP1KDM4ELMNANPC1RAB9A
SCHEMBL9100311 0.75 RAB9A (0.43) ABCB1LMNAMAPTNPC1RAB9A
SCHEMBL14688168 0.75 ABCB1 (0.43) ABCB1ALDH1A1MAPTNPC1RAB9A

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
EP-2463269-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-13 EP disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed