SCHEMBL11829272

SCHEMBL11829272

CCCN(c1ccccc1)C(CC)OC(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ELANE P08246 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL11822816 0.90 TP53 (0.45) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11828834 0.88 ALDH1A1 (0.42) TP53SMN1; SMN2ELANEGAAMAPT
SCHEMBL11830975 0.87 TP53 (0.41) TP53SMN1; SMN2ALDH1A1TSHRGLA
SCHEMBL11836303 0.82 NPC1 (0.38) TP53SMN1; SMN2ELANEGAAALDH1A1
SCHEMBL11827569 0.80 ALDH1A1 (0.40) TP53SMN1; SMN2ELANEMAPTALDH1A1
SCHEMBL11825761 0.79 TP53 (0.43) TP53SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL11828887 0.78 NPC1 (0.40) TP53ELANEGAAMAPTALDH1A1
SCHEMBL9632865 0.74 TP53 (0.46) TP53SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL9632869 0.74 TP53 (0.46) TP53SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL11826484 0.74 ALDH1A1 (0.43) TP53MAPTALDH1A1TSHRGLA

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-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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