SCHEMBL3407763

SCHEMBL3407763

COc1ccc(C(=O)c2ccccc2)c(-n2cc(O)c3ccc(Cl)cc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
LMNA P02545 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 2/20 0.53
PGR P06401 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
SLC6A2 P23975 1/20 0.53
PDE4A P27815 1/20 0.53
MAPK1 P28482 1/20 0.53
HRH1 P35367 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PDE4D Q08499 1/20 0.53
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 4/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL3406738 0.89 KCNMA1 (0.46) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL3402854 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1MAPTRAB9A
SCHEMBL3402632 0.84 HTT (0.45) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL3409035 0.84 MAPT (0.44) ALDH1A1LMNACYP1A2CYP2C19PGR
SCHEMBL152935 0.78 SLC5A2 (0.47) RAB9ANPC1
SCHEMBL3409107 0.74 GAA (0.44) ALDH1A1LMNASLC6A3MAPTPOLB
SCHEMBL3404051 0.73 EGFR (0.48) LMNAHTTHPGDMAPTPOLB
Dioxybenzone SCHEMBL4332154 0.71 HPGD (0.71) ALDH1A1LMNACYP1A2CYP2C19HTT
Oxybenzone SCHEMBL6674080 0.71 HPGD (1.00) ALDH1A1LMNACYP1A2CYP2C19HTT
Oxybenzone SCHEMBL29355332 0.71 HPGD (1.00) ALDH1A1LMNACYP1A2CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed