SCHEMBL23637331

SCHEMBL23637331

CC1(C)c2ccccc2-c2ccc(Nc3cccc4oc5c6ccccc6ccc5c34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.36
MAPK14 Q16539 2/20 0.34
DUSP3 P51452 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
CDC25B P30305 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A1 P04798 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP1B1 Q16678 3/20 0.32
CYP2C19 P33261 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL31470799 1.00 FADS1 (0.36) FADS1MAPK14DUSP3ALDH1A1MAPT
SCHEMBL23637472 0.89 DUSP3 (0.36) FADS1MAPK14DUSP3ALDH1A1MAPT
SCHEMBL18471153 0.88 FADS1 (0.34) FADS1MAPK14DUSP3ALDH1A1MAPT
SCHEMBL23637474 0.88 MAPK14 (0.36) FADS1MAPK14DUSP3ALDH1A1MAPT
SCHEMBL23423606 0.87 FADS1 (0.37) FADS1MAPK14DUSP3ALDH1A1MAPT
SCHEMBL26352452 0.86 ALDH1A1 (0.36) MAPK14ALDH1A1MAPTKMT2ACYP3A4
SCHEMBL19170359 0.86 ALDH1A1 (0.38) FADS1DUSP3ALDH1A1KMT2ARAB9A
SCHEMBL38651607 0.86 ALDH1A1 (0.38) FADS1DUSP3ALDH1A1KMT2ARAB9A
SCHEMBL30132948 0.86 ALDH1A1 (0.38) FADS1DUSP3ALDH1A1KMT2ARAB9A
SCHEMBL23637466 0.85 ALDH1A1 (0.38) DUSP3ALDH1A1MAPTKMT2ARAB9A

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
WO-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 WO disclosed