SCHEMBL5013814

SCHEMBL5013814

CCCCCCCCCCCCCCCCCCc1ccc2c(oc3ccccc32)c1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TYR P14679 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL3453786 1.00 ESR1 (0.40) ESR1LIPGSRCMAPTPTGS2
SCHEMBL21436950 0.84 ALOX5 (0.47) ESR1LIPGMAPTPTGS2KDM4E
SCHEMBL21436921 0.84 ALOX5 (0.47) ESR1LIPGMAPTPTGS2KDM4E
SCHEMBL21436947 0.84 ALOX5 (0.47) ESR1LIPGMAPTPTGS2KDM4E
SCHEMBL11994184 0.82 ALOX5 (0.48) LIPGMAPTPTGS2NPC1RAB9A
SCHEMBL16981606 0.82 NPC1 (0.42) LIPGSRCMAPTNPC1RAB9A
SCHEMBL5010801 0.80 SRC (0.42) SRCMAPTHSD17B10TYRKDM4E
SCHEMBL28686355 0.79 ESR1 (0.39) ESR1LIPGMAPTPTGS2HSD17B10
SCHEMBL28445314 0.77 MAPT (0.40) ESR1SRCMAPTHSD17B10NPC1
SCHEMBL16985150 0.75 MAPT (0.43) LIPGMAPTNPC1RAB9AKDM4E

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed