SCHEMBL6587908

SCHEMBL6587908

Cc1ccc2[nH]c(SCCCCCO)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
CYP2E1 P05181 4/20 0.54
CYP3A4 P08684 4/20 0.54
CYP2C8 P10632 4/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
CYP2B6 P20813 4/20 0.54
CYP2C19 P33261 4/20 0.54
LMNA P02545 8/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL14311148 0.94 LMNA (0.57) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6587918 0.89 MAPT (0.66) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6755644 0.88 LMNA (0.52) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6586326 0.88 LMNA (0.52) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL1130674 0.80 LMNA (0.47) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6608285 0.80 EPHX2 (0.79) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6604271 0.80 EPHX2 (0.79) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6605155 0.80 EPHX2 (0.79) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL10492869 0.80 HRH4 (0.52) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL8366653 0.79 CYP1A2 (0.54) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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-6815455-B1 ANTIFOAM AGENTS OF MACROPHAGES; PREVENTING ARTERIOSCLEROSIS FUJI PHOTO FILM CO., LTD. (JP) 2004-11-09 US disclosed
EP-1197487-B1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2004-01-14 EP disclosed
EP-1197487-A1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME Fuji Photo Film Co., Ltd. (JP) 2002-04-17 EP disclosed