SCHEMBL8458055

SCHEMBL8458055

[CH2]CCCCCCCCOc1ccc(OCCCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.62
LTA4H P09960 5/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PLA2G4B P0C869 1/20 0.53
RARB P10826 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL7324144 0.98 NR5A1 (0.66) NR5A1LTA4HTP53TSHRGAA
SCHEMBL7477094 0.96 NR5A1 (0.62) NR5A1LTA4HTP53TSHRGAA
SCHEMBL11046727 0.94 NR5A1 (0.66) NR5A1LTA4HTP53TSHRGAA
SCHEMBL8778513 0.91 LTA4H (0.57) NR5A1LTA4HTP53TSHRGAA
SCHEMBL6324073 0.89 LMNA (0.55) NR5A1TP53GAARAB9ANPC1
SCHEMBL8733409 0.88 LMNA (0.61) NR5A1LTA4HTP53TSHRGAA
SCHEMBL58833 0.88 LMNA (0.61) NR5A1LTA4HTP53TSHRGAA
SCHEMBL7465256 0.88 LMNA (0.61) NR5A1LTA4HTP53TSHRGAA
SCHEMBL6200177 0.88 LMNA (0.61) NR5A1LTA4HTP53TSHRGAA
SCHEMBL6468174 0.87 NQO1 (0.61) NR5A1LTA4HTSHRNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691327-B1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME KAO CORP (JP) 1999-07-21 EP disclosed
US-5723497-A AMINE ALCOHOL DERIVATIVES FOR WRINKLE RESISTNCE KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0691327-A1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME Kao Corporation (JP) 1996-01-10 EP disclosed