SCHEMBL8400685

SCHEMBL8400685

CCC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3ccc(C)cc3n2C(=O)CC)nc2cc(C)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.34
TLR8 Q9NR97 2/20 0.33
P2RX2 Q9UBL9 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
NLRP3 Q96P20 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7792456 0.86 BACE1 (0.39) KMT2A
SCHEMBL7792324 0.84 ALDH1A1 (0.38) ACSS2ALDH1A1
SCHEMBL7792672 0.84 KDM4E (0.32) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL7786096 0.83 ACSS2 (0.35) ACSS2KDM4EALDH1A1
SCHEMBL7792344 0.83 PTGDR2 (0.43) KDM4EHSD17B10KMT2AMAPTALDH1A1
SCHEMBL7792081 0.83 PTGDR2 (0.43) KDM4EHSD17B10KMT2AMAPTALDH1A1
SCHEMBL7796343 0.83 PTGDR2 (0.43) KDM4EHSD17B10KMT2AMAPTALDH1A1
SCHEMBL7792320 0.83 L3MBTL1 (0.41) HSD17B10MEN1KMT2AHPGDALDH1A1
SCHEMBL7796129 0.81 CYP1A2 (0.43) KDM4EHSD17B10KMT2AMAPTALDH1A1
SCHEMBL7795876 0.81 SMN1; SMN2 (0.38) KDM4EKMT2AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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