SCHEMBL27876284

SCHEMBL27876284

O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 1.00
▸ HTT P42858 1/20 0.72
▸ GRM5 P41594 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ PKM P14618 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ USP2 O75604 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54

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
SCHEMBL27876376 0.84 HTT (0.80) ALDH1A1HTTPKMLMNAUSP2
SCHEMBL28038078 0.83 HTT (0.97) ALDH1A1HTTPKMLMNANPC1
SCHEMBL19442006 0.81 ALDH1A1 (0.69) ALDH1A1GRM5HSD17B10LMNAMAPK1
SCHEMBL11980694 0.81 ALDH1A1 (0.67) ALDH1A1GRM5HSD17B10MAPK1MAPT
SCHEMBL24711247 0.78 ALDH1A1 (0.77) ALDH1A1HTTHSD17B10LMNAUSP2
SCHEMBL27859664 0.77 HTT (0.71) ALDH1A1HTTPKMLMNAPOLB
Hydrochloric Acid SCHEMBL11395487 0.77 HRH3 (0.65) ALDH1A1PKMLMNA
SCHEMBL1902638 0.76 GRM5 (1.00) ALDH1A1GRM5LMNAMAPTNPC1
SCHEMBL9125887 0.74 GRM5 (0.72) ALDH1A1HTTGRM5HSD17B10LMNA
SCHEMBL6283959 0.74 GRM5 (0.67) ALDH1A1HTTGRM5HSD17B10LMNA

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
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN claimed
CN-102482249-A TOFA analogs for treating skin disorders or conditions VALOCOR THERAPEUTICS INC 2012-05-30 — — CN disclosed
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