SCHEMBL10799987

SCHEMBL10799987

C#CCOC(=O)C(CCCNC(=O)c1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44
▸ NAAA Q02083 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL10805205 0.96 FOLH1 (0.50) FOLH1NPC1RAB9AEPHX2HDAC3
SCHEMBL27967824 0.84 GRIN1 (0.43) FOLH1RAB9ACA1CA2PDE4A
SCHEMBL24732379 0.84 NAAA (0.54) NPC1RAB9AEPHX2HDAC3HDAC4
SCHEMBL24732393 0.83 CA1 (0.56) NPC1RAB9AEPHX2HDAC3HDAC4
SCHEMBL10815966 0.82 ALDH1A1 (0.46) FOLH1NPC1CTSLRECQLCTSG
SCHEMBL27967837 0.81 CTSB (0.48) RAB9A
SCHEMBL8975695 0.80 FOLH1 (0.59) FOLH1NPC1RAB9AEPHX2HDAC3
SCHEMBL10801725 0.80 FOLH1 (0.59) FOLH1NPC1RAB9AEPHX2HDAC3
SCHEMBL10805989 0.80 CTSL (0.66) RAB9ACTSLCTRB1
SCHEMBL31344527 0.80 CA1 (0.61) FOLH1NPC1RAB9AEPHX2HDAC3

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
US-4661510-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1987-04-28 — — US disclosed
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