SCHEMBL23167366

SCHEMBL23167366

O=C1CCC2=COc3ccccc3C2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
HSD11B1 P28845 1/20 0.31
AKR1C3 P42330 1/20 0.31
CYP19A1 P11511 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 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
SCHEMBL5190243 0.71 KDM1A (0.34) KMT2ABRD4TP53RECQLALDH1A1
SCHEMBL23415460 0.69 CYP2C9 (0.34)
SCHEMBL1081873 0.62 MAOA (0.43) ADORA3ARHSD11B1AKR1C3MAOA
SCHEMBL5038983 0.61 MEN1 (0.33) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL5518924 0.60 NOS1 (0.41) CYP19A1MAPTKMT2ATP53RECQL
SCHEMBL11662568 0.59
SCHEMBL4708651 0.59
SCHEMBL5697951 0.59 CYP19A1 (0.48) CYP19A1MAOB
SCHEMBL13275306 0.58
SCHEMBL14852665 0.58 ALDH1A1 (0.68) MEN1USP2MAPTTHRBKMT2A

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-2021067834-A1 CANNABINOIDS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. (US) 2021-04-08 WO disclosed