SCHEMBL18832670

SCHEMBL18832670

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.49
▸ SMPD1 P17405 4/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL1561678 0.89 LPAR1 (0.61) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832655 0.86 LPAR1 (0.53) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832654 0.86 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832677 0.83 LPAR1 (0.51) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832678 0.80 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832660 0.80 LPAR1 (0.59) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832674 0.79 LPAR1 (0.60) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832664 0.79 LPAR1 (0.58) LPAR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL1561576 0.79 LPAR1 (0.69) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832661 0.79 LPAR1 (0.60) LPAR1SMN1; SMN2LMNAGAAHTT

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 claimed
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