SCHEMBL10692377

SCHEMBL10692377

Cc1ccc2cc3ccccc3c(OCCCCl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.40
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 5/20 0.39
HPGD P15428 5/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDC25B P30305 1/20 0.35
UBE2I P63279 1/20 0.35
SAE1 Q9UBE0 1/20 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
SCHEMBL10693186 0.88 HTR1B (0.47) CYP2A6TDP1CYP1A2HPGDMAOA
SCHEMBL23089941 0.88 SLC2A1 (0.44) L3MBTL1CYP2A6TDP1CYP1A2RAB9A
SCHEMBL29372017 0.88 SLC2A1 (0.44) L3MBTL1CYP2A6TDP1CYP1A2RAB9A
SCHEMBL10692520 0.87 L3MBTL1 (0.50) L3MBTL1CYP1A2HPGDMAOAALDH1A1
SCHEMBL23089896 0.87 SLC2A1 (0.41) L3MBTL1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL29371832 0.87 SLC2A1 (0.41) L3MBTL1CYP2A6TDP1CYP1A2ALDH1A1
SCHEMBL29368618 0.86 CYP2A6 (0.40) L3MBTL1CYP2A6TDP1CYP1A2HPGD
SCHEMBL23089920 0.86 CYP2A6 (0.40) L3MBTL1CYP2A6TDP1CYP1A2HPGD
SCHEMBL23089927 0.85 SLC2A1 (0.43) L3MBTL1CYP2A6TDP1CYP1A2MAPT
SCHEMBL23089963 0.85 SLC2A1 (0.43) L3MBTL1CYP2A6TDP1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed