SCHEMBL8079837

SCHEMBL8079837

Cc1ccc(C(C)OC(=O)CCCCCCCCCCCCCCCCCCN)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8078576 0.86 ALDH1A1 (0.42) KAT2BALDH1A1KDM4ETDP1MAPT
SCHEMBL7533289 0.85 ALDH1A1 (0.45) KAT2BALDH1A1TSHRNPC1RAB9A
SCHEMBL9056707 0.85 ALDH1A1 (0.45) KAT2BALDH1A1TSHRNPC1RAB9A
SCHEMBL3620200 0.78 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9AGAA
SCHEMBL23805426 0.78 TSHR (0.49) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL8079834 0.76 GAA (0.42) ALDH1A1CYP3A4KDM4ETDP1NPC1
SCHEMBL14639143 0.74 CYP1A2 (0.48) ALDH1A1TSHRTDP1MAPTGAA
SCHEMBL8078638 0.72 ALDH1A1 (0.44) KAT2BALDH1A1TSHRKDM4EGAA
SCHEMBL27889292 0.72 CTSL (0.47) ALDH1A1TSHRCYP3A4KDM4ETDP1
SCHEMBL2198711 0.72 ALDH1A1 (0.42) KAT2BALDH1A1TSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087072-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-07-11 US disclosed
US-6027852-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-02-22 US disclosed