SCHEMBL7330872

SCHEMBL7330872

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(OC(=O)N(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MTNR1B P49286 3/20 0.42
MTNR1A P48039 1/20 0.41
MLYCD O95822 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
BCHE P06276 1/20 0.41
ADRB2 P07550 1/20 0.41
ACHE P22303 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL7339865 0.89 KMT2A (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7330761 0.88 KMT2A (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7337641 0.88 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7333001 0.87 KMT2A (0.57) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7333046 0.87 KMT2A (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7340280 0.84 KMT2A (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7341414 0.84 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7333710 0.84 KMT2A (0.47) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7334099 0.83 MEN1 (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1
SCHEMBL7334223 0.83 KMT2A (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1NPSR1

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
EP-0475531-B1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same ASAHI CHEMICAL IND (JP) 1995-01-18 EP disclosed
EP-0475531-A1 Benzoic acid phenylester compounds and elastase inhibiting compositions containing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-03-18 EP disclosed