SCHEMBL11764166

SCHEMBL11764166

CCCCCCCCC(CCCCCCCC)(c1ccc2cc(C(CCCCCCCC)(CCCCCCCC)P(=O)(O)O)ccc2c1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 8/20 0.47
▸ FDPS P14324 11/20 0.46
▸ SMPD1 P17405 2/20 0.45
▸ LPAR1 Q92633 1/20 0.45
▸ LPAR3 Q9UBY5 1/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ CETP P11597 1/20 0.43
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40

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
SCHEMBL11759783 0.94 PTPN1 (0.46) GGPS1FDPSPTPN1CETP
SCHEMBL11760531 0.87 PTPN1 (0.49) FDPSPTPN1
SCHEMBL11761414 0.82 CNR1 (0.39) GGPS1FDPSSMPD1PTPN1S1PR1
SCHEMBL11413454 0.81 GGPS1 (0.50) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11418608 0.81 GGPS1 (0.50) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11757262 0.80 PTPN1 (0.42) FDPSPTPN1
SCHEMBL11762641 0.80 PTPN1 (0.52) PTPN1
SCHEMBL28418733 0.79 GGPS1 (0.49) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11411164 0.79 GGPS1 (0.49) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL11475619 0.79 FDPS (0.47) GGPS1FDPSSMPD1LPAR1LPAR3

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-4061681-A Method for the preparation of mono- or poly [dialkyl or dicycloalkylphosphonylmethyl] aromatic carbocyclic compounds AMERICAN CYANAMID COMPANY (US) 1977-12-06 — — US disclosed
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