SCHEMBL11577282

SCHEMBL11577282

COc1ccc(C(=O)c2ccccc2Cl)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
NPC1 O15118 6/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
LMNA P02545 3/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
HPGD P15428 2/20 0.55
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
AR P10275 1/20 0.55
CHRM1 P11229 1/20 0.55
ALOX15 P16050 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 3/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 5/20 0.51

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
SCHEMBL11576124 0.88 MAPK13 (0.58) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL3236831 0.87 NPC1 (0.68) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL1408182 0.86 NPC1 (0.55) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL285924 0.85 NPC1 (0.79) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL31575666 0.85 NPC1 (0.79) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL29633699 0.85 LMNA (0.77) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL2482326 0.85 LMNA (0.77) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL11576305 0.85 KMT2A (0.68) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL7183314 0.84 ABCG2 (0.48) KMT2ANPC1ABCG2LMNACYP1A2
SCHEMBL17770569 0.84 LMNA (0.60) KMT2ANPC1ABCG2LMNAHPGD

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-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed