SCHEMBL28296077

SCHEMBL28296077

C[C](C)C.O=[C]c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.43
GABRA1 P14867 7/20 0.42
GABRG2 P18507 7/20 0.42
GABRB3 P28472 7/20 0.42
GABRB2 P47870 4/20 0.42
GABRB1 P18505 2/20 0.42
TSHR P16473 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL95434 0.91 TP53 (0.48) TSHRHSD17B10TP53CASP1SMN1; SMN2
SCHEMBL11507070 0.75 VCAM1 (0.39) TSHRHSD17B10TP53CASP1SMN1; SMN2
SCHEMBL5127052 0.74 FFAR1 (0.43) TSHRTP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL10650840 0.74 HSD17B10 (0.52) HSD17B10MEN1KMT2ACYP3A4
SCHEMBL8333206 0.74 HSD17B10 (0.50) TSHRHSD17B10MEN1KMT2ACASP1
SCHEMBL3785534 0.74 ACACB (0.39) GABRA1GABRG2GABRB3GABRB2MEN1
SCHEMBL95478 0.73 TP53 (0.48) TSHRHSD17B10MEN1KMT2ATP53
SCHEMBL7234787 0.72 RORC (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL102884 0.71 TRPV4 (0.34) TDP1MAPK1
SCHEMBL21201419 0.70 CYP3A4 (0.46) TP53SMN1; SMN2ALDH1A1CYP3A4

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-109715768-A Lubricant oil composite comprising biodiesel fuel and dispersing agent 雪佛龙奥伦耐技术有限责任公司 2019-05-03 CN disclosed