SCHEMBL27665877

SCHEMBL27665877

CCCC(=O)OC1CCCCC1(OCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
SLC18A3 Q16572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
ESR1 P03372 1/20 0.30
PGR P06401 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
ATM Q13315 1/20 0.30
PDE3A Q14432 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL3388684 0.75 NAAA (0.39) NAAASLC18A3ALDH1A1CYP2C19LMNA
SCHEMBL8402329 0.73 SLC6A2 (0.31)
SCHEMBL27929750 0.73 NAAA (0.39) NAAASLC18A3ALDH1A1CYP19A1
SCHEMBL888425 0.71 NAAA (0.42) NAAASMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9733085 0.69
SCHEMBL3189181 0.69 NAAA (0.52) NAAASLC18A3ALDH1A1KMT2ACHRM1
SCHEMBL1695592 0.69 NAAA (0.72) NAAASLC18A3ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL3189185 0.69 NAAA (0.52) NAAASLC18A3ALDH1A1KMT2ACHRM1
SCHEMBL9968594 0.69 KMT2A (0.38) ALDH1A1SMN1; SMN2KMT2APOLBATM
SCHEMBL8690677 0.68

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408321-B Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them 法国施维雅药厂 2019-03-08 CN disclosed
CN-105408321-A Novel derivatives of indole and pyrrole, method for the production thereof and pharmaceutical compositions containing same SERVIER LAB 2016-03-16 CN disclosed
CN-1950337-A (4, 5,6, 7-tetrahydro-1-H-indol-7-yl) acetic acid derivatives for the treatment of Alzheimer's disease MERCK SHARP & DOHME (GB) 2007-04-18 CN disclosed