SCHEMBL14764287

SCHEMBL14764287

CC(=O)c1cccs1.CC(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.65
CES1 P23141 1/20 0.65
DAO P14920 1/20 0.62
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
HDAC1 Q13547 1/20 0.58
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
GLA P06280 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
HPGDS O60760 1/20 0.54
GSK3B P49841 1/20 0.54
HPGD P15428 1/20 0.53

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
SCHEMBL3798 1.00
SCHEMBL27678000 0.98
SCHEMBL27587621 0.93 CES2 (0.58) CES2CES1DAONPC1RAB9A
SCHEMBL6236591 0.93 CES2 (0.58) CES2CES1DAONPC1RAB9A
Thiophene Carboxylic Acid SCHEMBL19386054 0.91 DAO (0.79) CES2CES1DAONPC1RAB9A
SCHEMBL25303059 0.91 DAO (0.58) CES2CES1DAONPC1RAB9A
SCHEMBL28193918 0.89 CES2 (0.54) CES2CES1DAONPC1RAB9A
Phenol SCHEMBL27607479 0.88 DAO (0.55) CES2CES1DAONPC1RAB9A
Malonic Acid SCHEMBL10682503 0.88 DAO (0.55) CES2CES1DAONPC1RAB9A
Resorcinol SCHEMBL29173040 0.86 CES2 (0.50) CES2CES1DAONPC1RAB9A

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-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
WO-2013035070-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-03-14 WO disclosed