SCHEMBL7702558

SCHEMBL7702558

CCCCCC(C)(C)c1cc(N=Nc2ccccc2[N+](=O)[O-])c(O)c(-c2cc(C(C)(C)CCCCC)cc(N=Nc3ccccc3[N+](=O)[O-])c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.39
CNR2 P34972 11/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 2/20 0.38
ACHE P22303 2/20 0.38
CES1 P23141 2/20 0.38
PTPN11 Q06124 3/20 0.38
GPR18 Q14330 3/20 0.36
GPR55 Q9Y2T6 3/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7698053 0.94 CNR1 (0.42) CNR1CNR2NPC1RAB9APTPN11
SCHEMBL9177992 0.91 CES2 (0.39) CNR1CNR2NPC1RAB9ACES2
SCHEMBL11876492 0.90 NPC1 (0.38) CNR1CNR2NPC1RAB9ACES2
SCHEMBL9008430 0.87 CES2 (0.39) CNR1CNR2NPC1RAB9ACES2
SCHEMBL9007277 0.86 CNR1 (0.45) CNR1CNR2NPC1RAB9ACES2
SCHEMBL5648936 0.85 MEN1 (0.43) CNR1CNR2GPR18GPR55
SCHEMBL7702554 0.84 NPC1 (0.41) NPC1RAB9ACES2ACHECES1
SCHEMBL7702561 0.84 NPC1 (0.41) NPC1RAB9ACES2ACHECES1
SCHEMBL11237715 0.83 CES2 (0.39) CNR1CNR2NPC1RAB9ACES2
SCHEMBL7699961 0.83 NPC1 (0.45) NPC1RAB9ACES2ACHECES1

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-6344505-B1 Mono- and bis-benzotriazolyldihydroxybiaryl UV absorbers CYTEC INDUSTRIES INC. 2002-02-05 US disclosed