SCHEMBL11197823

SCHEMBL11197823

COc1ccc(C(=O)Cl)c(C(=O)Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
LMNA P02545 2/20 0.47
PGR P06401 2/20 0.47
SLC6A2 P23975 2/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47

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
SCHEMBL3045867 0.90 ALDH1A1 (0.62) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL9541390 0.89 KDM4E (0.58) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL3142619 0.84 TYK2 (0.55) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL22717132 0.84 RAB9A (0.52) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL220681 0.84 NPC1 (0.64) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL1363543 0.84 TYK2 (0.55) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL4954916 0.84 NPC1 (0.56) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL24001 0.84 MAPT (0.66) NPC1RAB9AHPGDALDH1A1HTT
SCHEMBL1536363 0.84 HTT (0.58) NPC1RAB9AHPGDALDH1A1CYP3A4
SCHEMBL3124091 0.84 NPC1 (0.72) NPC1RAB9AHPGDALDH1A1CYP3A4

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
CN-109897075-B Green synthesis method of sucralose-6-acetate 盐城捷康三氯蔗糖制造有限公司 2023-12-05 CN disclosed
US-4414220-A HUPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1983-11-08 US disclosed
US-4333932-A DIHYDROISOINDOLES, HYPOGLYCEMIC, ANTIDIABETIC PFIZER INC. (US) 1982-06-08 US disclosed
US-4220650-A HYPOGLYCEMIC PFIZER INC. (US) 1980-09-02 US disclosed
EP-0010896-A1 Organic diamine compounds for use as oral hypoglycemic agents and pharmaceutical compositions thereof PFIZER INC. (US) 1980-05-14 EP disclosed