SCHEMBL8401455

SCHEMBL8401455

Cc1ccccc1-c1c(CC(=O)O)oc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAP2 P11137 1/20 0.46
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 4/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL8403485 0.87 MAP2 (0.43) LMNASMN1; SMN2MAP2MCL1KDM4E
SCHEMBL8784765 0.85 LMNA (0.49) LMNASMN1; SMN2MAP2MCL1KDM4E
SCHEMBL8399463 0.83 CA1 (0.52) MAP2MCL1KDM4EALDH1A1GABRP
SCHEMBL8398887 0.82 TP53 (0.43) LMNASMN1; SMN2MAP2KDM4ERAB9A
SCHEMBL8403474 0.82 LMNA (0.42) LMNASMN1; SMN2MCL1KDM4EMAOA
SCHEMBL8402590 0.82 TP53 (0.42) LMNASMN1; SMN2MAP2KDM4EGABRP
SCHEMBL6940805 0.81 MCL1 (0.62) SMN1; SMN2MAP2MCL1KDM4EMAOA
SCHEMBL8403480 0.80 S1PR4 (0.44) LMNASMN1; SMN2MAP2KDM4EALDH1A1
SCHEMBL8399464 0.80 ALDH1A1 (0.44) LMNASMN1; SMN2MAP2MCL1KDM4E
SCHEMBL8398986 0.79 S1PR2 (0.45) LMNAKDM4EALDH1A1NPC1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929107-A INHIBITORS OF ACYL-COA:CHOLESTEROL ACYLTRANSFERASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5492929-A ENZYME INHIBITORS, ANTICHOLESTEROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-20 US disclosed
EP-0602598-A1 3-Phenylindolyl-, -benzofuranyl- and -benzothienyl- alkylcarboxanilides, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-06-22 EP disclosed