SCHEMBL7950874

SCHEMBL7950874

ClCCCCCCNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX12 P18054 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNH3 Q9ULD8 5/20 0.45
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8968882 0.92 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KCNH3PRSS1
SCHEMBL8654318 0.92 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KCNH3PRSS1
SCHEMBL8677435 0.92 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1KCNH3PRSS1
SCHEMBL18660177 0.90 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HSD17B10ALOX12
SCHEMBL18660199 0.90 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HSD17B10ALOX12
SCHEMBL18660198 0.90 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HSD17B10ALOX12
SCHEMBL19018359 0.90 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1HSD17B10ALOX12
SCHEMBL7856023 0.90 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1KCNH3PRSS1
SCHEMBL7149348 0.88 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1HSD17B10ALOX12
SCHEMBL4973608 0.84 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1HSD17B10TDP1

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-6267148-B1 HEAT-AGING RESISTANCE AND OXYGENATED-GASOLINE RESISTANCE TOKAI RUBBER INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed