SCHEMBL28999769

SCHEMBL28999769

CC(C)(C)OOC(=O)c1ccccc1.O=C(OOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 9/20 0.52
NPC1 O15118 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 2/20 0.44
CASP1 P29466 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
KMT2A Q03164 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41

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
Hydrogen Peroxide SCHEMBL10360982 0.90 SMN1; SMN2 (0.53) TSHRALDH1A1HSD17B10TDP1RAB9A
SCHEMBL2152936 0.89 RAB9A (0.62) TSHRALDH1A1RAB9ANPC1MAPT
SCHEMBL31347990 0.89 RAB9A (0.62) TSHRALDH1A1RAB9ANPC1MAPT
Benzoyl Peroxide SCHEMBL1326365 0.89 RAB9A (0.62) TSHRALDH1A1RAB9ANPC1MAPT
SCHEMBL6945787 0.82 RAB9A (0.58) TSHRALDH1A1RAB9ANPC1MAPT
Benzoyl Peroxide SCHEMBL2798373 0.81 TDP1 (0.96) TSHRALDH1A1HSD17B10TDP1MAPT
SCHEMBL28771784 0.81 TDP1 (0.96) TSHRALDH1A1HSD17B10TDP1MAPT
SCHEMBL4846213 0.81 NPC1 (0.48) TSHRALDH1A1RAB9ANPC1MAPT
Benzoyl Chloride SCHEMBL4535590 0.80 RAB9A (0.59) TSHRALDH1A1RAB9ANPC1MAPT
SCHEMBL8894675 0.80 NR1H4 (0.49) TSHRALDH1A1TDP1RAB9ANPC1

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
CN-115725140-A Thermoplastic elastomer composition and weather strip for automobile 株式会社引能仕材料 2023-03-03 CN disclosed