SCHEMBL7792672

SCHEMBL7792672

CCC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3cc(C)c(C)cc3n2C(=O)CC)nc2cc(C)c(C)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7791855 0.86 AGTR1 (0.35) KDM4ESMN1; SMN2KMT2AMAPTLMNA
SCHEMBL8400685 0.84 P2RX3 (0.34) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL7792081 0.81 PTGDR2 (0.43) KDM4EALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL7792344 0.81 PTGDR2 (0.43) KDM4EALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL7796343 0.81 PTGDR2 (0.43) KDM4EALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL7792456 0.81 BACE1 (0.39) KMT2A
SCHEMBL7796129 0.80 CYP1A2 (0.43) KDM4EALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL7792324 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2GAALMNA
SCHEMBL7792482 0.78 EPHX2 (0.32)
SCHEMBL7792320 0.78 L3MBTL1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP1A2TSHR

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
EP-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed