SCHEMBL16077899

SCHEMBL16077899

Cc1cc(Cl)c(O)c(CBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
HSPA5 P11021 2/20 0.37
AMY1A P0DUB6 1/20 0.37
HIF1A Q16665 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 2/20 0.36
TTR P02766 1/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
SELE P16581 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6443715 0.84 AMY1A (0.48) HSPA5AMY1AHIF1ACYP2C9CYP2C19
SCHEMBL69852 0.83 HSPA5 (0.53) NPC1RAB9AHSPA5AMY1AHIF1A
SCHEMBL4444016 0.81 SHBG (0.44) NPC1RAB9AHSPA5AMY1AHIF1A
SCHEMBL11590889 0.81 TSHR (0.37) NPC1HSPA5HIF1ACYP2C9CYP2C19
SCHEMBL14534585 0.79 THRB (0.38) NPC1RAB9AHSPA5AMY1AHIF1A
SCHEMBL14430758 0.79 NPC1 (0.38) NPC1RAB9AHSPA5AMY1AHIF1A
SCHEMBL14682851 0.78 ALDH1A1 (0.46) HSPA5AMY1AHIF1ACYP2C9CYP2C19
SCHEMBL9993152 0.78 HSD17B10 (0.56) HIF1ACYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL27679370 0.78 ALOX5 (0.40) NPC1RAB9AHSPA5AMY1AHIF1A
SCHEMBL64932 0.77 ALDH1A1 (0.58) NPC1RAB9AHIF1ACYP2C9CYP2C19

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-20140275429-A1 METHOD FOR PRODUCING OLEFIN BLOCK POLYMER USING PLURALITY OF TYPES OF TRANSITION METAL CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed