SCHEMBL20520337

SCHEMBL20520337

O=Cc1cc(OC2CCCCO2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
HSD17B10 Q99714 1/20 0.36
WNK1 Q9H4A3 2/20 0.35

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
SCHEMBL29793698 0.82 WNK1 (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL16782293 0.82 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL20240595 0.82 NPC1 (0.44) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL5346439 0.82 ATM (0.42) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL10924129 0.80 MAPK1 (0.41) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL3037513 0.80 KMT2A (0.40) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL3036505 0.80 KMT2A (0.47) ALDH1A1MAPTKMT2ACYP3A4HSD11B1
SCHEMBL29793554 0.80 WNK1 (0.39) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL24373490 0.80 ALDH1A1 (0.39) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL566012 0.80 HSD11B1 (0.39) ALDH1A1MEN1KMT2AKDM4EDHFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11196003-B2 Organic semiconductor polymers QATAR FOUNDATION FOR EDUCATION, SCIENCE AND COMMUNITY DEVELOPMENT (QA) 2021-12-07 US disclosed
US-20200119280-A1 ORGANIC SEMICONDUCTOR POLYMERS QATAR FOUNDATION FOR EDUCATION, SCIENCE AND COMMUNITY DEVELOPMENT (QA) 2020-04-16 US disclosed
US-10547005-B2 Organic semiconductor polymers QATAR FOUNDATION FOR EDUCATION, SCIENCE AND COMMUNITY DEVELOPMENT (QA) 2020-01-28 US disclosed
US-20180287066-A1 ORGANIC SEMICONDUCTOR POLYMERS QATAR FOUNDATION FOR EDUCATION, SCIENCE, AND COMMUNITY DEVELOPMENT (QA) 2018-10-04 US disclosed