SCHEMBL9440331

SCHEMBL9440331

CCCCC(CC)COc1ccc(C)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1357035 0.84 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL1356320 0.84 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL762244 0.81 CYP3A4 (0.45) MAPTKMT2ACYP3A4ALDH1A1CA2
SCHEMBL10414307 0.80 ALDH1A1 (0.44) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL9096619 0.79 ALDH1A1 (0.49) MAPTKMT2ACYP3A4ALDH1A1CA2
SCHEMBL20357876 0.79 CYP3A4 (0.47) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL3335244 0.78 MAPT (0.64) MAPTKMT2ACYP3A4HSD17B10
SCHEMBL2272799 0.78 ALDH1A1 (0.48) MAPTKMT2ACYP3A4ALDH1A1CA2
SCHEMBL17053280 0.78 ALDH1A1 (0.40) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL13053119 0.78 ALDH1A1 (0.45) CYP3A4ALDH1A1CA2TDP1L3MBTL1

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