SCHEMBL18898421

SCHEMBL18898421

CCCOC(=O)C(F)(F)[C@@H](N[S+]([O-])C(C)(C)C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ OPRK1 P41145 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ GAA P10253 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ GABRB1 P18505 3/20 0.34
▸ GABRB2 P47870 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL17857574 0.91 MMP8 (0.42) LMNAPOLBOPRK1ALDH1A1SMN1; SMN2
SCHEMBL17841444 0.81 GABRB1 (0.37) LMNAOPRK1SMN1; SMN2GAAGABRB1
SCHEMBL17841446 0.81 GABRB1 (0.37) LMNAOPRK1SMN1; SMN2GAAGABRB1
SCHEMBL17841447 0.81 GABRB1 (0.37) LMNAOPRK1SMN1; SMN2GAAGABRB1
SCHEMBL23377637 0.80 MAPT (0.40) LMNAALDH1A1SMN1; SMN2GAAMMP8
SCHEMBL28553281 0.80 MAPT (0.40) LMNAALDH1A1SMN1; SMN2GAAMMP8
SCHEMBL29494599 0.79 POLB (0.42) LMNAPOLBALDH1A1SMN1; SMN2MMP8
SCHEMBL27406275 0.78 ALDH1A1 (0.36) POLBALDH1A1GAAMMP8
SCHEMBL18898548 0.73 LMNA (0.45) LMNAPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL17724358 0.73 OPRK1 (0.37) OPRK1NPC1RAB9ACHRM2CHRM1

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-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
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