SCHEMBL8846233

SCHEMBL8846233

CCCCCCCCCCCC#Cc1cccc(C=C(P(=O)(O)O)P(=O)(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.44
KCNH2 Q12809 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
PRKCA P17252 2/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL8846716 1.00 GGPS1 (0.44) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL9145650 0.93 GGPS1 (0.45) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL9150614 0.86 NR1I2 (0.52) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL10752111 0.81 FFAR1 (0.47) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL8846088 0.80 KCNH2 (0.48) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL1852576 0.80 KCNH2 (0.48) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL7680519 0.80 KCNH2 (0.48) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL10795164 0.80 KCNH2 (0.48) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL10796653 0.80 FFAR1 (0.48) GGPS1KCNH2FFAR1FFAR4MMP2
SCHEMBL9700186 0.79 KCNH2 (0.45) GGPS1KCNH2FFAR1FFAR4MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504237-A PLA2 inhibitors MONSANTO COMPANY (US) 1996-04-02 US claimed
US-5648349-A PHOSPHOLIPASE INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5504237-A PLA2 inhibitors MONSANTO COMPANY (US) 1996-04-02 US disclosed