SCHEMBL9480671

SCHEMBL9480671

OCCCCCCN1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CHRM2 P08172 12/20 0.56
CHRM4 P08173 12/20 0.56
CHRM1 P11229 12/20 0.56
CHRM3 P20309 12/20 0.56
USP2 O75604 1/20 0.54
CDK4 P11802 1/20 0.54
ALOX15 P16050 1/20 0.54
CCND1 P24385 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
PARP2 Q9UGN5 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL10995953 1.00 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL20148244 0.92 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL9470338 0.90 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL29555396 0.87 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL1450283 0.87 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL25223972 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL10408895 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL25277467 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL14415145 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL25226247 0.84 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACHRM2CHRM4

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
US-5247042-A ISOTROPIC ACRYLIC POLYMER EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORP. 1993-09-21 US disclosed
WO-1991003504-A1 ACRYLIC POLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1991-03-21 WO disclosed