SCHEMBL994043

SCHEMBL994043

CC(C)COC(=O)C(CCC(=O)O)CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 2/20 0.37

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
SCHEMBL1311934 0.89 PLA2G10 (0.40) FOLH1TSHR
SCHEMBL3931367 0.85 GABRP (0.43) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL3275556 0.83 MME (0.47) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL1419634 0.83 MME (0.47) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL3273833 0.83 MME (0.47) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL29245234 0.82 TSHR (0.46) TSHR
SCHEMBL27572008 0.80 TSHR (0.45) TSHR
SCHEMBL3963889 0.80 TSHR (0.45) TSHR
SCHEMBL11761615 0.80 TSHR (0.45) TSHR
SCHEMBL12693481 0.80 PLA2G10 (0.46) FOLH1TSHR

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
WO-2013004001-A1 BI-PHASE Si/SIC SEPARATION METHOD RHODIA (CHINA) CO., LTD. (CN) 2013-01-10 WO disclosed
US-7871970-B2 Formulations of carboxylic acid diesters useful for treating/cleaning textile and other materials RHODIA OPERATIONS (FR) 2011-01-18 US disclosed
US-20100240564-A1 FORMULATIONS OF CARBOXYLIC ACID DIESTERS USEFUL FOR TREATING/CLEANING TEXTILE AND OTHER MATERIALS RHODIA OPERATIONS (FR) 2010-09-23 US disclosed