SCHEMBL7336708

SCHEMBL7336708

CCOC(=O)Nc1ccc(C(=O)Oc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
RAB9A P51151 5/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL7331651 0.90 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7333819 0.88 RAB9A (0.67) KMT2AMEN1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7330954 0.86 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AHPGD
SCHEMBL7333061 0.86 KMT2A (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1TRPV1
SCHEMBL7339085 0.86 KMT2A (0.51) KMT2AMEN1SMN1; SMN2TRPV1RAB9A
SCHEMBL7328819 0.84 KMT2A (0.56) KMT2AMEN1SMN1; SMN2TRPV1RAB9A
SCHEMBL7332683 0.84 NPC1 (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL7338994 0.83 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AHPGD
SCHEMBL7337586 0.83 KMT2A (0.48) KMT2AMEN1SMN1; SMN2TRPV1RAB9A
SCHEMBL7339776 0.83 NPC1 (0.50) KMT2AMEN1SMN1; SMN2L3MBTL1RAB9A

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