SCHEMBL5008632

SCHEMBL5008632

Nc1cccc2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
CYP3A4 P08684 6/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 3/20 0.58
TSHR P16473 2/20 0.58
KEAP1 Q14145 1/20 0.58
KDM4E B2RXH2 4/20 0.55
GAA P10253 4/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
RCE1 Q9Y256 2/20 0.55
NPC1 O15118 1/20 0.55
GLA P06280 1/20 0.55
PTBP1 P26599 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 3/20 0.50
HIF1A Q16665 2/20 0.50
ALOX15 P16050 2/20 0.50
CASP1 P29466 2/20 0.50

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
SCHEMBL5008832 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL5013887 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL22497391 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL29390626 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL29391698 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL4924420 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL28465029 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL168479 0.98 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL29364651 0.98 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL31298085 0.98 ALDH1A1 (0.61) ALDH1A1CYP3A4HSD17B10HPGDTSHR

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