SCHEMBL18874395

SCHEMBL18874395

COC(=O)C1(Nc2ccc(SC)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.66
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ADAM17 P78536 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 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
SCHEMBL18873861 0.92 LPAR1 (0.75) LPAR1SIRT2POLBFFAR4CHRM5
SCHEMBL18874390 0.88 LPAR1 (0.51) LPAR1SIRT2ALOX5POLBHDAC1
SCHEMBL1561438 0.86 LPAR1 (0.85) LPAR1SIRT2MAPTMEN1ALOX12
SCHEMBL18874040 0.82 LPAR1 (0.45) LPAR1MAPTMEN1KMT2A
SCHEMBL18873905 0.81 LPAR1 (0.57) LPAR1SIRT2POLBFFAR4CHRM5
SCHEMBL18874305 0.81 LPAR1 (0.51) LPAR1SIRT2ALOX5HDAC1HDAC2
SCHEMBL18874189 0.80 LPAR1 (0.58) LPAR1SIRT2MEN1KMT2AALOX5
SCHEMBL1561172 0.80 LPAR1 (1.00) LPAR1
SCHEMBL18874159 0.79 LPAR1 (0.57) LPAR1SIRT2POLBFFAR4CHRM5
SCHEMBL18874199 0.79 LPAR1 (0.57) LPAR1SIRT2POLBFFAR4CHRM5

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
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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