SCHEMBL8764165

SCHEMBL8764165

O=C(O)Oc1ccccc1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MDM4 O15151 1/20 0.38

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
SCHEMBL143632 0.83 KDM4E (0.46) MAPTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL27779470 0.81 KMT2A (0.63) MAPTHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL459655 0.80 PTGS2 (0.57) KDM4EHSD17B10HPGDALDH1A1KMT2A
SCHEMBL11868414 0.80 KMT2A (0.43) MAPTHDAC8KDM4EHSD17B10HPGD
SCHEMBL7219994 0.79 MAPT (0.41) MAPTHDAC8KDM4EHSD17B10HPGD
SCHEMBL3740251 0.77 ELANE (0.47) MAPTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL29176170 0.77 MAPT (0.38) MAPTHDAC8KDM4EHSD17B10HPGD
SCHEMBL11239025 0.77 ELANE (0.47) MAPTHDAC8KDM4EHSD17B10HPGD
SCHEMBL7017642 0.76 FABP3 (0.44) MAPTKDM4EHSD17B10HPGDALDH1A1
SCHEMBL16319433 0.76 HTT (0.48) MAPTKDM4EHSD17B10HPGDALDH1A1

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-0545556-B1 Perfume composition QUEST INT (NL) 1997-07-23 EP disclosed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US disclosed
EP-0545556-A2 Perfume composition QUEST INTERNATIONAL NEDERLAND BV (NL) 1993-06-09 EP disclosed