SCHEMBL18832659

SCHEMBL18832659

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCC1(c2cccc(C)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.44
▸ SMPD1 P17405 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL1561615 0.88 LPAR1 (0.54) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832654 0.83 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832668 0.77 LPAR1 (0.46) LPAR1MEN1KMT2AL3MBTL1MAPT
SCHEMBL18832678 0.77 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832672 0.76 SMPD1 (0.42) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832679 0.76 LPAR1 (0.48) LPAR1HDAC1MEN1KMT2ARAB9A
SCHEMBL18832655 0.76 LPAR1 (0.53) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832674 0.76 LPAR1 (0.60) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832660 0.76 LPAR1 (0.59) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832673 0.75 LPAR1 (0.51) LPAR1SMPD1HDAC1HDAC8HDAC6

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
Send feedback