SCHEMBL8614784

SCHEMBL8614784

C=C(C)C(=O)OCCOc1ccc(O)c(-n2nc3ccc(C)cc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 4/20 0.38
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IGF2BP2 Q9Y6M1 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4185113 0.89 NPC1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL7268063 0.87 NPC1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL4445465 0.84 NPC1 (0.49) NPC1RAB9ALMNATDP1POLB
SCHEMBL4188814 0.84 TDP1 (0.46) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315604 0.84 TDP1 (0.48) NPC1RAB9ALMNATDP1POLB
SCHEMBL26489368 0.84 NPC1 (0.48) NPC1RAB9ALMNATDP1POLB
SCHEMBL29613654 0.84 NPC1 (0.35) NPC1RAB9ALMNATDP1POLB
SCHEMBL373843 0.84 NPC1 (0.35) NPC1RAB9ALMNATDP1POLB
SCHEMBL29315607 0.83 TDP1 (0.50) NPC1RAB9ALMNATDP1POLB
SCHEMBL28735972 0.82 POLB (0.39) NPC1RAB9ALMNATDP1POLB

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-5714134-A SUNSCREEN AGENTS SOCIETE L'OREAL S.A. (FR) 1998-02-03 US disclosed
US-5610257-A SUNSCREENS L'OREAL (FR) 1997-03-11 US disclosed