SCHEMBL13623381

SCHEMBL13623381

CCC(=O)c1cccc(C(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL270136 0.86 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL4457749 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL11782833 0.82 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL1535968 0.81 TSHR (0.53) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL9945912 0.81 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL19380603 0.81 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL12305563 0.81 TSHR (0.59) TSHRCA1CA2CYP1A2CYP3A4
SCHEMBL24692389 0.79 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL1536722 0.79 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNATSHR
SCHEMBL28979450 0.79 KMT2A (0.46) GABRA1GABRG2GABRB3LMNACA1

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
WO-2009140275-A1 ANALOGS OF PROPOFOL, PREPARATION THEREOF AND USE AS ANESTHETICS PHARMACOFORE, INC. (US) 2009-11-19 WO disclosed