SCHEMBL9515822

SCHEMBL9515822

O=C(Oc1cccc2ccccc12)C(Cc1ccccc1)SCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSMB5 P28074 1/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FABP7 O15540 3/20 0.40
FABP3 P05413 3/20 0.40
FABP5 Q01469 3/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL9323234 0.79 PTGS1 (0.50) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL1855181 0.75 ATM (0.48) HSD17B10KMT2AALDH1A1MEN1RAB9A
SCHEMBL10595010 0.74 HSD17B10 (0.54) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL6362824 0.73 TACR1 (0.53) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL5438064 0.73 TACR1 (0.53) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL3290432 0.73 HSD17B10 (0.56) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL29519974 0.72 CTSL (0.57) KMT2AALDH1A1GAAMEN1RAB9A
SCHEMBL1855157 0.72 CYP1A2 (0.53) HSD17B10ALDH1A1PTGS1PPARGPPARA
SCHEMBL28048746 0.71 HSD17B10 (0.57) HSD17B10KMT2AALDH1A1KDM4EHPGD
SCHEMBL8664311 0.71 HSD17B10 (0.57) HSD17B10KMT2AALDH1A1KDM4EHPGD

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
EP-0511228-A4 ESTERS OF 2-ARYLMETHYL-1-NAPHTHOL DERIVATIVES AS 5-LIPOXYGENASE INHIBITORS 1993-04-21 EP disclosed