SCHEMBL19211601

SCHEMBL19211601

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
FOLH1 Q04609 9/20 0.49
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41

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
SCHEMBL14809383 0.85 FFAR4 (0.44) KDM4AKDM4CKDM2APLA2G10
SCHEMBL5509949 0.78 GABRP (0.48) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL9540347 0.78 CYP1A2 (0.48) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL7312929 0.78 CYP1A2 (0.58) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL1437835 0.78 CYP1A2 (0.58) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL11685830 0.78 CYP1A2 (0.48) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL13726724 0.77 TET2 (0.57) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL7343378 0.76 FOLH1 (0.42) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL28304232 0.76 FOLH1 (0.42) CYP1A2FOLH1GABRPGABRDGABRA1
SCHEMBL21423297 0.76 FOLH1 (0.54) CYP1A2FOLH1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414288-A1 COALESCENTS Chemoxy International Limited (GB) 2018-12-19 EP disclosed
WO-2017137734-A1 COALESCENTS CHEMOXY INTERNATIONAL LIMITED (GB) 2017-08-17 WO disclosed