SCHEMBL8517649

SCHEMBL8517649

CCCCCC(C)C(O)(CCCCC)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
FDPS P14324 10/20 0.39
GGPS1 O95749 6/20 0.39
CA1 P00915 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1537949 0.89 FDPS (0.38) OPRM1FDPSGGPS1SPHK1
Ammonia Solution, Strong SCHEMBL27932619 0.86 FDPS (0.34) OPRM1FDPSGGPS1CA1SPHK1
SCHEMBL4249951 0.86 LMNA (0.43) FDPSGGPS1SPHK1LMNA
SCHEMBL9712291 0.86 GPR84 (0.37) FDPSGGPS1SPHK1LMNA
SCHEMBL4454720 0.86 SPHK1 (0.41) OPRM1FDPSGGPS1SPHK1LMNA
Hydrochloric Acid SCHEMBL5604452 0.85 SPHK1 (0.40) OPRM1FDPSGGPS1SPHK1LMNA
SCHEMBL25232433 0.81 TSHR (0.43) FDPSSPHK1LMNATP53
SCHEMBL9700851 0.80 FDPS (0.38) FDPSGGPS1
SCHEMBL28056385 0.80 OPRM1 (0.39) OPRM1FDPSGGPS1CA1SPHK1
SCHEMBL9715537 0.80 SPHK1 (0.42) OPRM1FDPSGGPS1SPHK1LMNA

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-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 US disclosed
WO-1997048676-A1 TRIPHENYLALKYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 US disclosed