SCHEMBL7734868

SCHEMBL7734868

CCOCOC[C@H](C[C@H](Cc1ccccc1)C(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
BACE1 P56817 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
USP21 Q9UK80 1/20 0.40
PIN1 Q13526 1/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
CA2 P00918 1/20 0.39
CTSL P07711 1/20 0.39
GAA P10253 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
SCHEMBL7734865 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53BACE1
SCHEMBL7740185 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53BACE1
SCHEMBL7740187 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53BACE1
SCHEMBL7734694 0.90 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7734685 0.90 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7739421 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53BACE1
SCHEMBL7739419 0.90 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53BACE1
SCHEMBL7740343 0.90 PIN1 (0.49) RAB9AMAPTPIN1CTSLGAA
SCHEMBL7740348 0.90 PIN1 (0.49) RAB9AMAPTPIN1CTSLGAA
SCHEMBL7739381 0.89 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed