SCHEMBL28146384

SCHEMBL28146384

CC=C(C)C.CCCCOCCCC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CES2 O00748 1/20 0.43
ATM Q13315 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GBA2 Q9HCG7 2/20 0.36
GBA1 P04062 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
SCHEMBL28146389 0.92 HTT (0.56) TSHRMEN1THRBHTTKMT2A
SCHEMBL28146385 0.90 HTT (0.60) TSHRMEN1THRBHTTKMT2A
SCHEMBL27708663 0.87 HTT (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL28146386 0.82 HSD17B10 (0.42) TSHRMEN1THRBHTTKMT2A
SCHEMBL11121786 0.82 TSHR (0.52) TSHRMEN1THRBHTTKMT2A
Methyl Alcohol SCHEMBL2390958 0.82 TSHR (0.72) TSHRMEN1THRBHTTKMT2A
Hydrogen Peroxide SCHEMBL28446111 0.82 TSHR (0.72) TSHRMEN1THRBHTTKMT2A
SCHEMBL15167 0.82
SCHEMBL8600029 0.82 TSHR (0.71) TSHRMEN1THRBHTTKMT2A
SCHEMBL439119 0.82 TSHR (0.71) TSHRMEN1THRBHTTKMT2A

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-106632507-B Metal complex and preparation method thereof, and preparation method of olefin binary copolymer 中国石油天然气股份有限公司 2019-03-12 CN disclosed
CN-106632507-A Metal complex and preparation method thereof, and preparation method of olefin binary copolymer 中国石油天然气股份有限公司 2017-05-10 CN disclosed