SCHEMBL9724968

SCHEMBL9724968

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
FPR2 P25090 1/20 0.61
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KLK7 P49862 2/20 0.55
POLB P06746 1/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54

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
SCHEMBL9724920 0.85 RAB9A (0.67) KMT2ARAB9AALDH1A1MAPTPOLB
SCHEMBL9724808 0.85 MEN1 (0.53) KMT2ARAB9AALDH1A1MAPTPOLB
SCHEMBL5037571 0.84 MAPK1 (0.63) KMT2ARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL9724801 0.84 HPGD (0.56) KMT2ARAB9AALDH1A1SMN1; SMN2KLK7
SCHEMBL6665555 0.83 KMT2A (0.65) KMT2AL3MBTL1FPR2RAB9AALDH1A1
SCHEMBL30452307 0.83 KMT2A (0.65) KMT2AL3MBTL1FPR2RAB9AALDH1A1
SCHEMBL28917901 0.83 KMT2A (0.68) KMT2AL3MBTL1FPR2RAB9AALDH1A1
SCHEMBL28119598 0.83 KMT2A (0.65) KMT2AL3MBTL1FPR2RAB9AALDH1A1
SCHEMBL9724829 0.82 BACE1 (0.54) KMT2ARAB9AMAPTSMN1; SMN2NPC1
SCHEMBL9724923 0.81 RAB9A (0.50) KMT2ARAB9AMAPTSMN1; SMN2HDAC1

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed