SCHEMBL9515564

SCHEMBL9515564

O=C(OCCCCCCOC(=O)c1ccccc1S)c1ccccc1S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.64
ALDH1A1 P00352 8/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 3/20 0.61
MAPK1 P28482 3/20 0.61
TP53 P04637 2/20 0.61
TDP1 Q9NUW8 5/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
PTGS2 P35354 1/20 0.43
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL59255 0.92 ALDH1A1 (0.79) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL9770273 0.92 ALDH1A1 (0.79) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL9216592 0.92 ALDH1A1 (0.79) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL9770250 0.92 ALDH1A1 (0.79) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL9066045 0.89 ALDH1A1 (0.56) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL2457943 0.88 TSHR (0.77) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL14337074 0.85 TSHR (0.55) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL10593976 0.84 ALDH1A1 (0.67) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL9219907 0.84 ALDH1A1 (0.76) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL30305694 0.79 TSHR (0.74) TSHRALDH1A1LMNACYP3A4MAPK1

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-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP claimed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 US claimed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed