SCHEMBL7339776

SCHEMBL7339776

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
CASP1 P29466 1/20 0.50
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 2/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
BCHE P06276 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
SCHEMBL7332683 0.96 NPC1 (0.51) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7333061 0.91 KMT2A (0.48) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7333819 0.88 RAB9A (0.67) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7331651 0.85 SMN1; SMN2 (0.58) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7336708 0.83 KMT2A (0.52) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7330954 0.79 KMT2A (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7332608 0.79 MAPT (0.54) RAB9AMEN1KMT2AMAPTKDM4E
SCHEMBL7339085 0.77 KMT2A (0.51) NPC1RAB9ACASP1TSHRSMN1; SMN2
SCHEMBL7332975 0.76 KMT2A (0.44) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7338994 0.76 KMT2A (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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