SCHEMBL13115997

SCHEMBL13115997

CC(=O)OC1(C)CC2CC1C1CCC(O)CC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
G6PD P11413 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL14271591 0.89 ALOX15 (0.33) ALOX15
SCHEMBL438935 0.83 ALOX15 (0.36) ALOX15GABRPGABRDGABRA1GABRB1
SCHEMBL9609346 0.83 ALOX15 (0.36) ALOX15GABRPGABRDGABRA1GABRB1
SCHEMBL13115999 0.81 ALOX15 (0.32) ALOX15
SCHEMBL13115358 0.75 ALOX15 (0.31) ALOX15
SCHEMBL17829490 0.75 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13758456 0.74 GPBAR1 (0.33) CYP3A4LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9609344 0.71 ALOX15 (0.36) ALOX15
SCHEMBL12872919 0.71 ALOX15 (0.34) ALOX15
SCHEMBL12872917 0.70 ALOX15 (0.35) ALOX15GABRPGABRDGABRA1GABRB1

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
EP-1164434-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-10-06 EP disclosed