SCHEMBL11830975

SCHEMBL11830975

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL11828887 0.91 NPC1 (0.40) TP53KCNH2ALDH1A1NPC1JAK2
SCHEMBL11826484 0.88 ALDH1A1 (0.43) TP53KCNH2ALDH1A1GLATSHR
SCHEMBL11829272 0.87 TP53 (0.40) TP53ALDH1A1GLATSHRTRPM8
SCHEMBL11822816 0.85 TP53 (0.45) TP53ALDH1A1GLATSHRTRPM8
SCHEMBL11819574 0.84 CRHBP (0.48) ALDH1A1GLATSHRSMN1; SMN2NPC1
SCHEMBL11821127 0.80 KCNH2 (0.45) TP53KCNH2ALDH1A1GLATSHR
SCHEMBL11834659 0.79 ALDH1A1 (0.41) TP53KCNH2ALDH1A1GLATSHR
SCHEMBL9971662 0.77 ALDH1A1 (0.39) TP53KCNH2ALDH1A1GLATSHR
SCHEMBL10993844 0.75 ALDH1A1 (0.41) TP53KCNH2ALDH1A1NPC1JAK2
SCHEMBL11825761 0.75 TP53 (0.43) TP53ALDH1A1GLATSHRSMN1; SMN2

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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