SCHEMBL4331765

SCHEMBL4331765

CCCCOCCCOCCC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
CYP3A4 P08684 2/20 0.50
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL25634275 0.97 TSHR (0.57) TSHRCYP3A4HTTMEN1THRB
SCHEMBL4653188 0.97 TSHR (0.63) TSHRCYP3A4HTTMEN1THRB
SCHEMBL76380 0.97
SCHEMBL273201 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB
SCHEMBL680632 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB
SCHEMBL23356857 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB
SCHEMBL3422976 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB
SCHEMBL23356755 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB
Ammonia Solution, Strong SCHEMBL1790164 0.93
SCHEMBL23356850 0.93 TSHR (0.60) TSHRCYP3A4HTTMEN1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006212-B1 SYSTEM OF PULVERISATION IN THE FORM OF AN AEROSOL Airwick AG (CH) 1981-08-05 EP claimed
US-20090324831-A1 CURABLE RESIN COMPOSITION AND PROCESS FOR PRODUCING CURED COATING USING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-31 US disclosed
EP-2048196-A1 CURABLE RESIN COMPOSITION AND METHOD FOR FORMING CURED COATING FILM Daicel Chemical Industries, Ltd. (JP) 2009-04-15 EP disclosed
EP-0003479-B1 HARDENING AGENTS AND PROCESS FOR PREPARING EPOXY RESIN POLYADDUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP disclosed