SCHEMBL18873903

SCHEMBL18873903

COCC1(NC(=O)c2ccc(C(C)=O)c(OCCc3cccc(C)c3)c2)Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.57
▸ MAOB P27338 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL1561715 0.87 LPAR1 (0.65) LPAR1MAOBSIRT2LMNAHTT
SCHEMBL1561352 0.86 LPAR1 (0.77) LPAR1
SCHEMBL18832662 0.84 LPAR1 (0.60) LPAR1MAOBSIRT2LMNAHTT
SCHEMBL13276258 0.79 LPAR1 (0.56) LPAR1MAOBLMNAHTTMEN1
SCHEMBL1812189 0.78 LPAR1 (0.64) LPAR1MAOBNR1H4
SCHEMBL1561481 0.76 LPAR1 (0.78) LPAR1MEN1KMT2ANPC1RAB9A
Fipaxalparant SCHEMBL1560214 0.76 LPAR1 (0.78) LPAR1NPC1RAB9AACHENOX1
SCHEMBL1560798 0.76 LPAR1 (0.67) LPAR1SIRT2LMNAMAPTSMN1; SMN2
Fipaxalparant SCHEMBL29382253 0.76 LPAR1 (0.78) LPAR1NPC1RAB9AACHENOX1
SCHEMBL1561405 0.76 LPAR1 (0.67) LPAR1SIRT2NPC1RAB9AACHE

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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