SCHEMBL13989151

SCHEMBL13989151

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TP53 P04637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GPX4 P36969 1/20 0.43
PAX8 Q06710 1/20 0.43
SKP2 Q13309 1/20 0.41
CNR2 P34972 2/20 0.40
HSD11B1 P28845 1/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL17702084 0.95 HSD11B1 (0.43) CA1CA2TP53ALDH1A1NPC1
SCHEMBL258125 0.95 HSD11B1 (0.43) CA1CA2TP53ALDH1A1NPC1
SCHEMBL2772632 0.95 HSD11B1 (0.43) CA1CA2TP53ALDH1A1NPC1
SCHEMBL2292411 0.95 HSD11B1 (0.43) CA1CA2TP53ALDH1A1NPC1
SCHEMBL12779468 0.93 LTB4R2 (0.42) CA1CA2TP53ALDH1A1NPC1
SCHEMBL2773665 0.93 LTB4R2 (0.42) CA1CA2TP53ALDH1A1NPC1
SCHEMBL3185777 0.93 LTB4R2 (0.42) CA1CA2TP53ALDH1A1NPC1
SCHEMBL2769407 0.93 LTB4R2 (0.42) CA1CA2TP53ALDH1A1NPC1
SCHEMBL2771243 0.93 HSD11B1 (0.48) TP53ALDH1A1NPC1RAB9AGPX4
SCHEMBL20056954 0.93 LTB4R2 (0.42) CA1CA2TP53ALDH1A1NPC1

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-20190221375-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed