SCHEMBL7342249

SCHEMBL7342249

CC(C)C(=O)Nc1ccc(C(=O)Oc2cc(F)ccc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MLYCD O95822 1/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL7343524 0.87 F11 (0.45) ADRB1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7338363 0.87 ALDH1A1 (0.42) MEN1KMT2ACYP2C9MLYCDRAB9A
SCHEMBL7341144 0.87 IMPDH2 (0.44) MEN1KMT2AMLYCDRAB9AMAPT
SCHEMBL7339841 0.87 ALDH1A1 (0.44) MEN1KMT2AMLYCDRAB9AMAPT
SCHEMBL7331572 0.87 ALDH1A1 (0.47) MEN1KMT2AMLYCDRAB9AMAPT
SCHEMBL7333593 0.86 F11 (0.49) CYP2C9CYP2C19F11KLKB1POLB
SCHEMBL7336790 0.86 ALDH1A1 (0.51) MEN1KMT2ACYP2C9MLYCDRAB9A
SCHEMBL7334092 0.86 MLYCD (0.46) MLYCDRAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7335748 0.86 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7336287 0.85 SMN1; SMN2 (0.43) MEN1KMT2AMLYCDRAB9AMAPT

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