SCHEMBL8944314

SCHEMBL8944314

CCCCOc1ccc(Nc2cccc(Oc3ccc(C(C)(C)c4ccc(Oc5cccc(Nc6ccc(OCCCC)cc6)c5Nc5ccc(OCCCC)cc5)cc4)cc3)c2Nc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.41
LTA4H P09960 3/20 0.40
CACNA1B Q00975 5/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
CACNA1H O95180 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
FAAH O00519 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
SCHEMBL8943676 0.97 LTA4H (0.42) ADAMTS5LTA4HFAAH
SCHEMBL8944306 0.90 LTA4H (0.50) ADAMTS5LTA4HCACNA1BPOLBFAAH
SCHEMBL8943910 0.88 CACNA1B (0.41) ADAMTS5LTA4HCACNA1BCACNA1HFAAH
SCHEMBL8944276 0.87 LTA4H (0.51) ADAMTS5LTA4HFAAH
SCHEMBL8944008 0.85 FAAH (0.40) ADAMTS5LTA4HCACNA1BCACNA1HFAAH
SCHEMBL8943996 0.84 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL8944011 0.76 MAPT (0.39) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL8943761 0.75 ADAMTS5 (0.34) ADAMTS5LTA4HKDM4EALDH1A1KMT2A
SCHEMBL8943655 0.74 MAPT (0.45) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL8943622 0.74 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AHTT

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed