SCHEMBL7462175

SCHEMBL7462175

CCCn1c(=O)cc(O)c2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.83
KDM4E B2RXH2 8/20 0.77
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 1/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PGR P06401 2/20 0.52
NPC1 O15118 1/20 0.50
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 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
SCHEMBL1790843 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9262842 0.88 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9254043 0.88 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30197876 0.88 ALDH1A1 (0.89) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9535544 0.87 KDM4E (1.00) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11828707 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11826856 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7135259 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL28973475 0.82 KDM4E (0.68) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11826437 0.81 KDM4E (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT

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-1172109-A1 COMPOSITIONS FOR PREVENTING AND TREATING TYPE I ALLERGY Sunstar Inc. (JP) 2002-01-16 EP disclosed
EP-1172443-A1 METHOD FOR SCREENING CYSTEINE PROTEASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-01-16 EP disclosed