SCHEMBL7792628

SCHEMBL7792628

CCCCCCCC(=O)Nc1ccc2nc(C(=O)SCCCCCSC(=O)c3nc4ccc(NC(=O)CCCCCCC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7792625 0.92 SPHK2 (0.48) SPHK2SPHK1LMNASMN1; SMN2NPC1
SCHEMBL7792262 0.89 MAPT (0.46) LMNASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL7795873 0.82 GRIN1 (0.42) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7792259 0.81 MEN1 (0.43) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7031472 0.80 SPHK2 (0.54) SPHK2SPHK1LMNASMN1; SMN2NPC1
SCHEMBL7794733 0.80 SPHK2 (0.54) SPHK2SPHK1LMNASMN1; SMN2NPC1
SCHEMBL8656543 0.79 NPC1 (0.54) SPHK2SPHK1LMNASMN1; SMN2NPC1
SCHEMBL7792325 0.78 GRIN1 (0.44) LMNASMN1; SMN2ALDH1A1HDAC6KMT2A
SCHEMBL7792323 0.76 PIN1 (0.61) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7794740 0.74 HRH4 (0.52) SMN1; SMN2RAB9AALDH1A1HPGDHSD17B10

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