SCHEMBL9770327

SCHEMBL9770327

COc1ccc(SCCSc2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.62
ALDH1A1 P00352 7/20 0.60
NPC1 O15118 2/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
RAB9A P51151 1/20 0.52
MAPT P10636 6/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL418525 0.91 ALDH1A1 (0.59) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL9768860 0.89 NPC1 (0.58) ACHEALDH1A1NPC1TP53RAB9A
SCHEMBL9770431 0.85 ALDH1A1 (0.54) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL5168911 0.84 NPC1 (0.65) ACHEALDH1A1NPC1RAB9AMAPT
SCHEMBL5167250 0.83 ALDH1A1 (0.56) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL9808184 0.83 ALDH1A1 (0.56) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL28526426 0.82 APP (0.72) ACHEALDH1A1NPC1TP53MAPT
SCHEMBL9348226 0.81 ALDH1A1 (0.54) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL6123648 0.81 ALDH1A1 (0.54) ALDH1A1NPC1TP53KDM4EMTNR1A
SCHEMBL5172139 0.81 ALDH1A1 (0.54) ALDH1A1NPC1TP53KDM4EMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
EP-0222343-B1 RECORDING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed
US-4792542-A CONTAINING AN AROMATIC SULFIDE FUJI PHOTO FILM CO., LTD. (JP) 1988-12-20 US disclosed
EP-0222343-A2 Recording material FUJI PHOTO FILM CO., LTD. (JP) 1987-05-20 EP disclosed