SCHEMBL11770708

SCHEMBL11770708

CCCN(CCC)C(=O)Sc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL11764839 0.86 HDAC3 (0.41) ALDH1A1ANPEPEPHX1SLC6A4KCNH2
SCHEMBL11761812 0.83 F2 (0.42) ALDH1A1EPHX1SMN1; SMN2BCHEPPARG
SCHEMBL9725704 0.82 TP53 (0.56) TP53ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL11302970 0.81 PKM (0.50) TP53ALDH1A1ANPEPEPHX1SLC6A4
SCHEMBL11762307 0.81 HDAC3 (0.44) ALDH1A1ANPEPEPHX1SMN1; SMN2BCHE
SCHEMBL11764217 0.80 NPC1 (0.44) ALDH1A1ANPEPEPHX1SMN1; SMN2CNR2
SCHEMBL11764786 0.79 ALDH1A1 (0.43) ALDH1A1ANPEPEPHX1SMN1; SMN2CNR2
SCHEMBL11332669 0.78 ALDH1A1 (0.50) ALDH1A1ANPEPEPHX1BCHEKDM4E
SCHEMBL11436576 0.74 ANPEP (0.38) TP53ALDH1A1ANPEPEPHX1LMNA
SCHEMBL11765167 0.73 ANPEP (0.40) TP53ALDH1A1ANPEPEPHX1SLC6A4

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-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 — — US disclosed
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