SCHEMBL21883802

SCHEMBL21883802

Cc1cc(C)c(N(C)c2cc(O)cc(O)c2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
ALOX15 P16050 1/20 0.34
MAOA P21397 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
PTGS1 P23219 1/20 0.33
RAPGEF4 Q8WZA2 3/20 0.32
SELL P14151 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
SCHEMBL22336609 0.81 AR (0.37) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL16263981 0.75 RAPGEF4 (0.43) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL20210147 0.73 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TSHRTP53
SCHEMBL18719354 0.71 CYP1A2 (0.40) GAALMNATSHRTDP1ACHE
SCHEMBL3234447 0.70 ALDH1A1 (0.57) ALDH1A1BACE1ALOX15TSHRHCAR1
SCHEMBL10296013 0.70 ACHE (0.40) ALDH1A1MAPTTSHRTDP1RAPGEF4
SCHEMBL20210150 0.70 ALDH1A1 (0.36) ALDH1A1LMNAMAPTTSHRRAPGEF4
Orcinol SCHEMBL68497 0.69
Phloroglucinol SCHEMBL28465719 0.69 ALDH1A1 (0.86) ALDH1A1GAAKDM4ELMNAMAPT
SCHEMBL18351215 0.68 HPGD (0.53) ALDH1A1GAALMNAMAPTTP53

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-2020071798-A1 COMPOUND, COLORED RESIN COMPOSITION, COLOR FILTER, AND DISPLAY DEVICE 동우 화인켐 주식회사 2020-04-09 WO disclosed