SCHEMBL9585643

SCHEMBL9585643

COc1ccc(OCC2COC(CSC(C)=O)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL9585086 0.84 ACHE (0.39) PKMTP53TSHRALDH1A1KMT2A
SCHEMBL9711718 0.83 PKM (0.49) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9585783 0.82 PKM (0.53) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9585718 0.80 PKM (0.56) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9840312 0.79 PKM (0.57) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9711860 0.78 PKM (0.51) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9711779 0.78 PKM (0.42) PKMMAPTALDH1A1PPARGTDP1
SCHEMBL9711931 0.78 PKM (0.42) PKMMAPTTP53TSHRALDH1A1
SCHEMBL9585797 0.78 PKM (0.56) PKMMAPTTP53TSHRALDH1A1
SCHEMBL6099389 0.75 PKM (0.76) PKMMAPTTP53TSHRALDH1A1

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-5212316-A Respiratory system disorders BOEHRINGER MANNHEIM ITALIA (IT) 1993-05-18 US disclosed
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed
US-4968706-A MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) 1990-11-06 US disclosed