SCHEMBL26524902

SCHEMBL26524902

O=C1CC(c2ccccc2)OC(=O)/C1=C\NCCN1CCN(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.40
▸ CYP19A1 P11511 3/20 0.38
▸ AR P10275 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ ACHE P22303 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL21821620 1.00 SLC18A3 (0.40) SLC18A3CYP19A1ARMAOBHSD17B10
SCHEMBL21821618 1.00 SLC18A3 (0.40) SLC18A3CYP19A1ARMAOBHSD17B10
SCHEMBL21821591 0.84 SLC18A3 (0.50) SLC18A3KDM1ACYP2C19ALDH1A1MEN1
SCHEMBL21821813 0.80 SLC18A3 (0.40) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821811 0.80 SLC18A3 (0.40) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821651 0.80 KDM1A (0.41) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821648 0.80 KDM1A (0.41) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821817 0.79 KDM1A (0.40) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821816 0.79 KDM1A (0.40) SLC18A3KDM1ACYP2C19ALDH1A1HTT
SCHEMBL21821808 0.78 SLC18A3 (0.38) SLC18A3KDM1AALDH1A1HTTMEN1

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
EP-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
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