SCHEMBL20052024

SCHEMBL20052024

Cc1cc(N(C)C)cc(C(=O)OCc2ccccc2)c1-c1c(C(=O)OCc2ccccc2)cc(N(C)C)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 4/20 0.39
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 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
SCHEMBL20053011 0.94 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL20052025 0.90 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL20052033 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1TSHR
SCHEMBL20052029 0.77 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL20053010 0.77 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL20052026 0.76 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL20052028 0.72 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL16127475 0.71 ALDH1A1 (0.63) ALDH1A1TDP1KDM4ETSHRL3MBTL1
SCHEMBL20830733 0.71 PRKCA (0.53) ALDH1A1MAPTHPGDTDP1TSHR
SCHEMBL20830728 0.70 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTDP1TSHR

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-9944723-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. (US) 2018-04-17 US disclosed