SCHEMBL14819082

SCHEMBL14819082

CN1C(=O)c2cccc(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 4/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL11077691 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL19927865 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL11077941 0.86 SMN1; SMN2 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL3819746 0.77 MEN1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL11347532 0.77 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL9550304 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL3822964 0.75 SMN1; SMN2 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL9550305 0.74 KCNA5 (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL427290 0.72 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL29674513 0.72 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1

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
WO-2013049099-A1 BLENDS OF POLYETHERIMIDE SULFONE AND POLY(ARYLENE SULFIDE) AND METHODS OF MAKING SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-04-04 WO disclosed
US-20130079459-A1 BLENDS OF POLYETHERIMIDE SULFONE AND POLY(ARYLENE SULFIDE) AND METHODS OF MAKING SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-03-28 US disclosed