SCHEMBL8843532

SCHEMBL8843532

CC(CCC(=O)O)CNCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ANPEP P15144 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CPA3 P15088 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44
BCHE P06276 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL8843322 0.88 ANPEP (0.48) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL1515643 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL9407510 0.80 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL28983274 0.80 BCHE (0.47) FOLH1ALDH1A1KMT2AMEN1MAPT
SCHEMBL20417941 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL22052987 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL757260 0.78 CPA3 (0.62) KMT2AMEN1CYP1A2CPA3SMN1; SMN2
SCHEMBL3440803 0.78 CPA3 (0.62) KMT2AMEN1CYP1A2CPA3SMN1; SMN2
SCHEMBL6990126 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTANPEP
SCHEMBL6990134 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTANPEP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed