SCHEMBL5499378

SCHEMBL5499378

O=C(CO)OC(=O)CCC(=O)OC(=O)CO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 2/20 0.40
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL132924 0.89
SCHEMBL28257128 0.89 LMNA (0.47) ALDH1A1TSHR
SCHEMBL2131209 0.86 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL1712360 0.85 ALDH1A1 (0.43) ALDH1A1TSHRMAPT
SCHEMBL5496394 0.84 FFAR3 (0.39) ALDH1A1TSHR
SCHEMBL29011951 0.84 OR51E2 (0.46) ALDH1A1TSHR
SCHEMBL6561919 0.83 ALDH1A1 (0.79) ALDH1A1TSHRMAPT
SCHEMBL10826597 0.83 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL15007566 0.83 CAMK2A (0.43) ALDH1A1TSHR
SCHEMBL28868261 0.79 TSHR (0.54) ALDH1A1TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038880-B1 Androstanes and pregnanes for allosteric modulation of GABA receptor EURO CELTIQUE SA (LU) 2007-10-17 EP claimed
EP-0253552-A2 Preparation of unagglomerated metal oxide particles with uniform particle size Corning Glass Works (US) 1988-01-20 EP claimed
EP-2684559-B1 Oil-based makeup cosmetic preparation SHINETSU CHEMICAL CO (JP) 2017-06-14 EP disclosed
EP-2684559-A2 Oil-based makeup cosmetic preparation Shin-Etsu Chemical Co., Ltd. (JP) 2014-01-15 EP disclosed
US-20130287824-A1 OIL-BASED MAKEUP COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-10-31 US disclosed