SCHEMBL5134826

SCHEMBL5134826

CCCC[CH]C(=O)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
OR51E2 Q9H255 1/20 0.36
TSHR P16473 1/20 0.36
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
CETP P11597 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6751596 0.94 SPHK2 (0.41) GPR84FFAR1SPHK2SPHK1CETP
SCHEMBL8106178 0.92 SPHK2 (0.44) GPR84FFAR1SPHK2SPHK1CETP
SCHEMBL6266665 0.80 GPR84 (0.57) GPR84FFAR1MAPT
SCHEMBL6268236 0.80 GPR84 (0.57) GPR84FFAR1MAPT
SCHEMBL5486823 0.78
SCHEMBL6050258 0.76 TSHR (0.40) TSHR
SCHEMBL28838512 0.73 MAPT (0.48) SPHK2SPHK1CETPTP53CYP1A2
SCHEMBL27806454 0.71 MEN1 (0.45) SPHK2SPHK1CETPTP53CYP1A2
SCHEMBL30269756 0.69
SCHEMBL3021028 0.69

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-20080254508-A1 TYPE I POLYKETIDE SYNTHASE EXTENDER UNITS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-16 US claimed
US-8759031-B2 Type I polyketide synthase extender units WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-24 US disclosed
US-20080254508-A1 TYPE I POLYKETIDE SYNTHASE EXTENDER UNITS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-16 US disclosed