SCHEMBL11250422

SCHEMBL11250422

CCCn1c(-c2ccccc2)cc2cc(OC(C)(CCC)C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
ALDH1A1 P00352 3/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NR1I2 O75469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL11251111 0.88 GRIK1 (0.53) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL11250419 0.82 GRIK1 (0.49) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL14136817 0.78 GRIK2 (0.80) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL14062053 0.77 GRIK1 (0.55) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL11258892 0.72 ALDH1A1 (0.51) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL8935937 0.72 PPARG (0.53) ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL82055 0.72 PPARG (0.53) ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL11688432 0.71 GRIK1 (0.52) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL11660383 0.70 ALDH1A1 (0.65) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B
SCHEMBL976929 0.70 PTGER4 (0.53) GRIK1GRIK2ALDH1A1MTNR1AMTNR1B

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed