SCHEMBL18832667

SCHEMBL18832667

COc1c(F)cc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.53
▸ KMT2A Q03164 3/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ GPR132 Q9UNW8 1/20 0.33
▸ SLC6A5 Q9Y345 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
SCHEMBL1561333 0.88 LPAR1 (0.68) LPAR1GPR132
SCHEMBL18832654 0.86 LPAR1 (0.63) LPAR1
SCHEMBL18832656 0.86 LPAR1 (0.54) LPAR1F10SIRT2ALOX5GPR132
SCHEMBL18832675 0.83 LPAR1 (0.61) LPAR1KMT2ABRD4SIRT2MEN1
SCHEMBL18832664 0.83 LPAR1 (0.58) LPAR1LMNASMN1; SMN2SIRT2HPGD
SCHEMBL18832662 0.82 LPAR1 (0.60) LPAR1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL18832661 0.82 LPAR1 (0.60) LPAR1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18832660 0.82 LPAR1 (0.59) LPAR1KMT2AMEN1
SCHEMBL18832657 0.82 LPAR1 (0.79) LPAR1KMT2AF10SIRT2MEN1
SCHEMBL18832658 0.81 LPAR1 (0.58) LPAR1HPGDALDH1A1GPR132

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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