SCHEMBL11464682

SCHEMBL11464682

O=C(c1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(C(=O)C(F)(F)F)c2O)c1O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
HIF1A Q16665 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ERBB2 P04626 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL11458342 0.79 HMGB1 (0.39) SMN1; SMN2POLBMEN1MAPTHTT
SCHEMBL423686 0.77 AKR1C4 (0.60) HSD17B10HIF1AHPGDSMN1; SMN2POLB
SCHEMBL11456323 0.76 BCL2 (0.44) MCL1ALDH1A1
SCHEMBL11457691 0.74 PRKCI (0.36) HIF1AMEN1MAPTKMT2ALMNA
SCHEMBL11458448 0.72 BCL2 (0.50) POLBGPR35HDAC1HDAC6
SCHEMBL11469231 0.72 TYR (0.37) HPGDMEN1MAPTHTTKMT2A
SCHEMBL8822888 0.72 HSD17B10 (0.76) HSD17B10HIF1AHPGDCYP2C19SMN1; SMN2
SCHEMBL11457692 0.70 ALOX5 (0.40) HPGDPOLBMEN1MAPTHTT
SCHEMBL11466492 0.70 ALOX5 (0.40) HPGDPOLBMEN1MAPTHTT
SCHEMBL28521133 0.70 TTR (0.56) HSD17B10HIF1ACYP2C19SMN1; SMN2CYP3A4

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
US-4225619-A BACTERICIDES, FUNGICIDES BOEHRINGER INGELHEIM GMBH (DE) 1980-09-30 US disclosed