SCHEMBL7375328

SCHEMBL7375328

CC(C)(C)NC(=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
MAPT P10636 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.73
EPHX1 P07099 2/20 0.62
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL6032606 0.83 EPHX1 (0.85) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL8790625 0.82 MAPT (0.70) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL3266407 0.80 EPHX1 (0.68) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL20027158 0.79 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL160344 0.79 EPHX1 (0.71) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL1709294 0.79 POLB (0.81) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL23116467 0.77 EPHX1 (0.64) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL1908713 0.77 EPHX1 (0.69) NPC1RAB9AMAPTSMN1; SMN2EPHX1
SCHEMBL17117307 0.77 EPHX2 (0.80) NPC1RAB9AMAPTEPHX1KMT2A
SCHEMBL3418508 0.77 EPHX1 (1.00) NPC1RAB9AMAPTSMN1; SMN2EPHX1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5892112-A ACYLATION OF AMINO ACIDS WITH ANHYDRIDES OR CARBOXY GROUPS, AMIDATION WITH AMINE AND CONVERSION OF ACID OR ESTER TO HYDROXAMIC ACID AND HYDROLYSIS GLYCOMED INCORPORATED (US) 1999-04-06 US disclosed
US-5773438-A SKIN DISORDERS, RESTENOSIS, RHEUMATIC ARTHRITIS, WOUND HEALING AGENTS, ANGIOGENESIS, SHOCK GLYCOMED INCORPORATED (US) 1998-06-30 US disclosed
EP-0690841-A4 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INC (US) 1996-03-13 EP disclosed
EP-0690841-A1 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INCORPORATED (US) 1996-01-10 EP disclosed
WO-1995019965-A1 SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS AND USES THEREOF GLYCOMED INCORPORATED (US) 1995-07-27 WO disclosed