SCHEMBL11042493

SCHEMBL11042493

COc1cc(N2CCCCC2)c(Cl)cc1CCOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
HTR4 Q13639 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTR3A P46098 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SLC29A1 Q99808 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11039227 0.85 SLC29A1 (0.39) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL10982953 0.82 HTR2A (0.41) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL10994115 0.80 HSD17B10 (0.43) S1PR1HTR4MEN1KMT2ACYP3A4
SCHEMBL10984615 0.79 S1PR1 (0.43) S1PR1HTR4MEN1KMT2ACYP3A4
SCHEMBL10984547 0.79 ABCB1 (0.41) S1PR1HTR4MEN1KMT2ACYP3A4
SCHEMBL10986476 0.76 S1PR1 (0.48) S1PR1HTR4MEN1KMT2ACYP3A4
SCHEMBL11081558 0.75 ALDH1A3 (0.37) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL10984618 0.75 S1PR1 (0.42) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11037856 0.70 KDM4E (0.39) S1PR1HTR4MEN1KMT2ACYP3A4
SCHEMBL11037859 0.70 KDM4E (0.39) S1PR1MEN1KMT2AALDH1A1MAPT

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
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed