SCHEMBL20156583

SCHEMBL20156583

C=C(C)c1ccc(Cl)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
KDR P35968 2/20 0.49
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 2/20 0.39
CASP1 P29466 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL20156555 0.83 FLT1 (0.48) FLT1FLT4KDRPOLBTHRB
SCHEMBL10290473 0.82 HSD17B1 (0.56) FLT1FLT4KDRPOLBTHRB
SCHEMBL29483331 0.80 HSD17B1 (0.41) POLBTHRBMEN1KMT2AHPGD
SCHEMBL20262941 0.80 HSD17B1 (0.41) POLBTHRBMEN1KMT2AHPGD
SCHEMBL7909295 0.78 HSD17B1 (0.51) HTTALDH1A1KDM4EHSD17B1TSHR
SCHEMBL27005987 0.78 HSD17B1 (0.40) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1363368 0.78 TRPA1 (0.42) POLBL3MBTL1MAPTMEN1KMT2A
SCHEMBL1548854 0.78 SMN1; SMN2 (0.59) FLT1FLT4KDRPOLBTHRB
SCHEMBL7932090 0.78 HSD17B1 (0.37) FLT1FLT4KDRMAPTKMT2A
Ethane SCHEMBL7194508 0.77 SMN1; SMN2 (0.57) FLT1FLT4KDRPOLBTHRB

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
WO-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed