SCHEMBL11047295

SCHEMBL11047295

COC=C(C)c1cc(Cl)c(N2CCCCC2)cc1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A3 P47895 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
HTR4 Q13639 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR3A P46098 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11047293 1.00 S1PR1 (0.39) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11043402 0.85 TSHR (0.43) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11043453 0.83 MEN1 (0.41) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11042048 0.81 ALDH1A1 (0.38) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11042052 0.81 ALDH1A1 (0.38) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11042050 0.79 S1PR1 (0.37) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL10986476 0.76 S1PR1 (0.48) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11040290 0.74 KDM4E (0.40) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11081558 0.73 ALDH1A3 (0.37) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11037856 0.72 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