SCHEMBL8804207

SCHEMBL8804207

CC(=O)N(CCc1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
HIF1A Q16665 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
IGF1R P08069 2/20 0.49
ALOX15 P16050 2/20 0.49
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
PMP22 Q01453 2/20 0.48

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
SCHEMBL17361052 0.83 LTB4R2 (0.47) TSHRCYP3A4KDM4EALDH1A1ACHE
SCHEMBL4153728 0.82 ACHE (0.52) TSHRCYP3A4HPGDALDH1A1ACHE
SCHEMBL11706342 0.79 LTB4R2 (0.53) KDM4EALDH1A1ACHELTB4R2
SCHEMBL27572248 0.79 CHRM5 (0.62) CYP3A4CYP2D6KDM4EMAPTPMP22
SCHEMBL3289317 0.78 HIF1A (0.57) LCKHIF1AHSD17B10TSHRNFKB1
SCHEMBL10099720 0.77 MEN1 (0.62) TSHRCYP3A4ALDH1A1ACHELTB4R2
SCHEMBL11225170 0.77 CHRM5 (0.60) TSHRALDH1A1ACHEMEN1MAPK1
SCHEMBL10908416 0.76 TSHR (0.55) HIF1AHSD17B10TSHRNFKB1CYP3A4
SCHEMBL10911281 0.75 ALOX15 (0.50) HIF1AHSD17B10TSHRNFKB1CYP3A4
SCHEMBL12655458 0.73 TRPM8 (0.60) LCKHIF1AHSD17B10TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809493-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-03 EP disclosed
US-5610185-A Method for the treatment of hyperproliferative epithelial skin diseases by topical application of hydroxylated aromatic protein cross-linking compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-11 US disclosed
WO-1996025159-A1 A METHOD FOR THE TREATMENT OF HYPERPROLIFERATIVE EPITHELIAL SKIN DISEASES BY TOPICAL APPLICATION OF HYDROXYLATED AROMATIC PROTEIN CROSS-LINKING COMPOUNDS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-22 WO disclosed