SCHEMBL7757927

SCHEMBL7757927

CCCCC(CCC1CC(C)(C)N(C)C(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
TSHR P16473 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
HIF1A Q16665 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL23038441 0.81 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL20291762 0.78 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL7757931 0.77 ALDH1A1 (0.34) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL3085940 0.77 ALDH1A1 (0.37) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL8659317 0.75 ALDH1A1 (0.36) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL16511646 0.75 GAA (0.34) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL1768977 0.74 ALDH1A1 (0.36) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL30712631 0.73 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL31364 0.73 GAA (0.36) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL28473328 0.73 GAA (0.36) ALDH1A1TSHRKDM4EMAPTLMNA

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
EP-0667562-B1 Charge injection barrier for positive charging organic photoconductor HEWLETT PACKARD CO (US) 2001-03-21 EP claimed