SCHEMBL29020971

SCHEMBL29020971

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)NC(=O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.45
LPAR3 Q9UBY5 5/20 0.44
LPAR1 Q92633 4/20 0.44
SMPD1 P17405 3/20 0.43
PIN1 Q13526 3/20 0.43
TLR2 O60603 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL29020969 1.00 LPAR5 (0.45) LPAR5LPAR3LPAR1SMPD1PIN1
SCHEMBL29020840 0.88 SMPD1 (0.46) SMPD1PIN1TLR2TAS1R3TAS1R1
SCHEMBL30464550 0.88 SMPD1 (0.46) SMPD1PIN1TLR2TAS1R3TAS1R1
SCHEMBL24340398 0.88 SMPD1 (0.46) SMPD1PIN1TLR2TAS1R3TAS1R1
SCHEMBL29020876 0.85 PIN1 (0.59) LPAR5LPAR3LPAR1PIN1
SCHEMBL29020879 0.85 PIN1 (0.59) LPAR5LPAR3LPAR1PIN1
SCHEMBL29020858 0.83 LPAR5 (0.44) LPAR5LPAR3LPAR1SMPD1
SCHEMBL29020855 0.83 LPAR5 (0.44) LPAR5LPAR3LPAR1SMPD1
SCHEMBL29020852 0.81 LPAR5 (0.46) LPAR5LPAR3LPAR1PIN1
SCHEMBL29020856 0.81 LPAR5 (0.46) LPAR5LPAR3LPAR1PIN1

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
CN-116322759-A Phospholipid compounds and uses thereof 吉利德科学公司 2023-06-23 CN disclosed