SCHEMBL18575634

SCHEMBL18575634

CC(C)(C)CNc1cccc(C(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ACMSD Q8TDX5 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NUDT1 P36639 1/20 0.44
▸ GRM5 P41594 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GNE Q9Y223 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL19347397 0.81 KDM4E (0.67) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL22455532 0.80 KDM4E (0.64) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL18167973 0.79 KDM4E (0.58) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL16834707 0.77 KDM4E (0.57) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL31431975 0.77 KDM4E (0.55) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL2639071 0.77 KDM4E (0.56) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL18167999 0.76 KDM4E (0.55) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL3117402 0.75 KDM4E (0.68) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL30951916 0.75 KDM4E (0.68) KDM4ELMNAALOX15TSHRACMSD
SCHEMBL18575633 0.75 KDM4E (0.68) KDM4ELMNAALOX15TSHRACMSD

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-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
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