SCHEMBL11539636

SCHEMBL11539636

CCCCCCCCc1ccc(Oc2ccc(CCCCCCCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALPG P10696 1/20 0.47
KCNH2 Q12809 1/20 0.47
TTR P02766 1/20 0.46

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
SCHEMBL7261455 0.90 ALDH1A1 (0.45) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL11441661 0.82 MAPT (0.61) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL12121503 0.81 PLK1 (0.47) MAPTLMNANPSR1ALDH1A1ALPG
SCHEMBL12778023 0.81 KCNH2 (0.48) MAPTLMNAALDH1A1KCNH2
SCHEMBL10489192 0.81 KAT8 (0.56) MAPTLMNANPSR1ALDH1A1KCNH2
SCHEMBL9100894 0.81 KCNH2 (0.51) MAPTLMNAALDH1A1KCNH2
SCHEMBL8744027 0.81 KCNH2 (0.48) LMNAALDH1A1KCNH2
SCHEMBL9586705 0.81 KAT8 (0.56) MAPTLMNANPSR1ALDH1A1KCNH2
SCHEMBL6365845 0.81 KCNH2 (0.51) MAPTLMNAALDH1A1KCNH2
SCHEMBL7041547 0.81 KAT8 (0.56) MAPTLMNANPSR1ALDH1A1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168219-A Electrode for measurement of ionic activity, sensor film therefor and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1979-09-18 US disclosed