SCHEMBL11679237

SCHEMBL11679237

CCCCCOc1ccc(OP(O)(O)=S)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.44
LPAR2 Q9HBW0 9/20 0.44
SOAT1 P35610 1/20 0.40
NPC1 O15118 2/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
LPAR1 Q92633 6/20 0.38
NR5A1 Q13285 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
LTA4H P09960 1/20 0.36
LPAR6 P43657 3/20 0.36
LPAR4 Q99677 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 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
SCHEMBL11679942 0.98 LPAR3 (0.47) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11678359 0.95 NPC1 (0.43) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11679119 0.90 NPC1 (0.35) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11677544 0.83 HTT (0.41) MEN1MAPTKMT2A
SCHEMBL11680940 0.81 CYP3A4 (0.40) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11680971 0.80 SOAT1 (0.41) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11678348 0.79 ACACB (0.40)
SCHEMBL11679087 0.77 NPC1 (0.43) LPAR3LPAR2SOAT1NPC1RECQL
SCHEMBL11676557 0.77 USP2 (0.34) LPAR3LPAR2NPC1RECQLRAB9A
SCHEMBL4273729 0.76 RAB9A (0.56) SOAT1NPC1RECQLRAB9ANR5A1

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-4056617-A Organic pyridazyl phosphorothioates and their use as insecticides SANKYO COMPANY LIMITED (JA) 1977-11-01 US claimed
US-4056617-A Organic pyridazyl phosphorothioates and their use as insecticides SANKYO COMPANY LIMITED (JA) 1977-11-01 US disclosed