SCHEMBL9440262

SCHEMBL9440262

CCCCOc1cccc(COC(C)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK8 P45983 1/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 2/20 0.38
ESR1 P03372 1/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
CYP4F2 P78329 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
SCHEMBL9440300 0.94 KCNH2 (0.44) ALDH1A1MAPK8TSHRKMT2AKCNH2
SCHEMBL7839773 0.80 ALDH1A1 (0.58) ALDH1A1
SCHEMBL2454329 0.79 KCNH2 (0.42) ALDH1A1MAPK8TSHRL3MBTL1KMT2A
SCHEMBL11942197 0.78 KCNH2 (0.44) ALDH1A1TSHRL3MBTL1KMT2AKCNH2
SCHEMBL2460027 0.76 KDM4E (0.50) ALDH1A1MAPK8TSHRL3MBTL1TDP1
SCHEMBL2520179 0.76 LTA4H (0.50) ALDH1A1TSHRL3MBTL1KMT2AKCNH2
SCHEMBL11275809 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1KCNH2CYP1A2CYP2C19
SCHEMBL2270674 0.75 KDM4E (0.48) ALDH1A1MAPK8TSHRL3MBTL1TDP1
SCHEMBL13082211 0.75 KCNH2 (0.39) ALDH1A1MAPK8TSHRL3MBTL1TDP1
SCHEMBL3133224 0.75 OPRM1 (0.43) ALDH1A1MAPK8TSHRL3MBTL1TDP1

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-0433457-B1 ANTIPRURITIC COMPOSITION SHISEIDO CO LTD (JP) 1994-10-19 EP disclosed
US-5219847-A Antipruritic composition SHISEIDO COMPANY, LTD. (JP) 1993-06-15 US disclosed
EP-0433457-A1 ANTIPRURITIC COMPOSITION SHISEIDO COMPANY LIMITED (JP) 1991-06-26 EP disclosed