SCHEMBL19590922

SCHEMBL19590922

O=C1CCCC(=O)N1CCc1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
PRMT1 Q99873 1/20 0.40
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHKA P35790 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35

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
SCHEMBL19588483 0.83 ALDH1A1 (0.51) PIN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19590926 0.83 PIN1 (0.39) PIN1PRMT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19590925 0.83 ALDH1A1 (0.50) PIN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19590924 0.80 ALDH1A1 (0.54) PIN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4438540 0.72 ALDH1A1 (0.63) PIN1PRMT1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13680869 0.72 PRMT1 (0.46) PIN1PRMT1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL19588479 0.71 NPC1 (0.45) ALDH1A1MEN1KMT2ACYP2C19CYP2D6
SCHEMBL13334633 0.69 ABCB1 (0.48) PIN1PRMT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5860780 0.69 HIF1A (0.55) PIN1PRMT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL13334632 0.68 PRMT1 (0.48) PIN1PRMT1ALDH1A1CYP1A2CYP2C19

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
US-9815814-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2017-11-14 US disclosed