SCHEMBL7740202

SCHEMBL7740202

O=C(NCCC(OCOCc1ccccc1)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 1/20 0.43
PRMT5 O14744 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7741311 0.94 NPC1 (0.45) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7741094 0.94 NPC1 (0.45) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7739596 0.90 NPC1 (0.47) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7739343 0.86 NPC1 (0.43) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7739340 0.86 NPC1 (0.43) NPC1RAB9ATMEM97SIGMAR1MAPT
SCHEMBL7740608 0.79 ADCY6 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7734697 0.79 ADCY6 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7734693 0.79 ADCY6 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7741141 0.78 SIGMAR1 (0.56) NPC1RAB9ATMEM97SIGMAR1MEN1
SCHEMBL7742570 0.76 TMEM97 (0.57) NPC1RAB9ATMEM97SIGMAR1MAPT

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