SCHEMBL9891143

SCHEMBL9891143

CCCCCc1csc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 7/20 0.55
▸ LIPG Q9Y5X9 7/20 0.55
▸ OPRM1 P35372 4/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL121471 0.98 LPL (0.56) LPLLIPGOPRM1PTGS2CYP3A4
SCHEMBL31516134 0.98 LPL (0.56) LPLLIPGOPRM1PTGS2CYP3A4
SCHEMBL15072065 0.98 LPL (0.56) LPLLIPGOPRM1PTGS2CYP3A4
SCHEMBL12913268 0.95 LPL (0.49) LPLLIPGOPRM1SKP2
SCHEMBL27949745 0.84 LPL (0.45) LPLLIPGOPRM1PTGS2
SCHEMBL12913231 0.82 LIPG (0.45) LPLLIPGCYP1A2HTR2A
SCHEMBL21052188 0.82 LPL (0.39) LPLLIPG
SCHEMBL19176431 0.81 LPL (0.41) LPLLIPG
SCHEMBL18966974 0.81 LPL (0.41) LPLLIPG
SCHEMBL12122384 0.81 LPL (0.50) LPLLIPGOPRM1PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142872-A1 PROCESS FOR POLYMERISING (HETERO)AROMATIC COMPOUNDS BASF SE (DE) 2012-06-07 — — US disclosed
US-20120142872-A1 PROCESS FOR POLYMERISING (HETERO)AROMATIC COMPOUNDS BASF SE (DE) 2012-06-07 — — US disclosed
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