SCHEMBL11038441

SCHEMBL11038441

Cc1cc(O)c(Cl)c(O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 2/20 0.44
CHRM1 P11229 1/20 0.44
MAOA P21397 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 2/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 5/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
G6PD P11413 1/20 0.39

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
SCHEMBL2049441 0.82 CYP3A4 (0.52) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL10820980 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL2468038 0.82 CYP3A4 (0.52) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL67759 0.82 CYP3A4 (0.52) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL5589371 0.80 ALOX15 (0.50) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL6722124 0.80 MAPT (0.54) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL1882971 0.80 HSD17B10 (0.55) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL1286188 0.80 MAPT (0.48) ALDH1A1MAPTGAACYP3A4ALOX15
SCHEMBL24316945 0.77 CYP3A4 (0.52) ALDH1A1MAPTGAACYP3A4ALOX15
Dichloroxylenol SCHEMBL574277 0.77 ALDH1A1 (0.61) ALDH1A1MAPTGAACYP3A4ALOX15

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-0039807-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1984-02-15 EP disclosed
EP-0039807-A2 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-18 EP disclosed
EP-0039807-A2 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-18 EP disclosed