SCHEMBL9839347

SCHEMBL9839347

CCc1cccc(CC)c1NC(=O)CCSc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.42
THRB P10828 2/20 0.42
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9559106 0.87 TSHR (0.45) KDM4ETDP1ALOX15TSHRCYP2C19
SCHEMBL9559110 0.86 TDP1 (0.50) KDM4ETDP1ALOX15CYP2C19MAPT
SCHEMBL7702154 0.83 GAA (0.41) TDP1ALOX15TSHRCYP2C19HIF1A
SCHEMBL9838242 0.82 TDP1 (0.44) KDM4ETDP1ALOX15TSHRCYP2C19
SCHEMBL9837613 0.80 HDAC3 (0.53) TDP1ALOX15TSHRCYP2C19MAPT
SCHEMBL9558970 0.77 ALDH1A1 (0.39) KDM4ETDP1TSHRMAPTSMN1; SMN2
SCHEMBL9558860 0.73 MAPT (0.49) KDM4EALOX15CYP2C19HIF1AMAPT
SCHEMBL9550724 0.72 THRB (0.41) TDP1TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL28264607 0.72 ALOX15 (0.55) KDM4ETDP1ALOX15TSHRCYP2C19
SCHEMBL9550717 0.72 THRB (0.40) TDP1ALOX15TSHRCYP2C19HIF1A

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-5071876-A Antiinflammatory agent; antiallergen; skin disorders; asthma; enzyme inhibitors of 5-lipogenase G. D. SEARLE & CO. (US) 1991-12-10 US disclosed
EP-0190682-B1 NOVEL DISUBSTITUTED 4-HYDROXYPHENYLTHIO ANILIDES G.D. Searle & Co. (US) 1990-09-12 EP disclosed
EP-0190682-A2 Novel disubstituted 4-hydroxyphenylthio anilides G.D. Searle & Co. (US) 1986-08-13 EP disclosed