SCHEMBL9986247

SCHEMBL9986247

[NH]C(=O)OCc1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL9986249 0.85 HTR2C (0.49) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL7384746 0.79 ALDH1A1 (0.51) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL1310566 0.79 GPR84 (0.44) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL8541015 0.76 PPARG (0.51) SRD5A2RAB9ACASP3CYP1A2NPC1
SCHEMBL1307495 0.76 ALDH1A1 (0.41) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL3452644 0.75 SRD5A2 (0.54) SRD5A2HTR2CHTR2BCYP1A2ADRA2A
SCHEMBL7342872 0.75 RAB9A (0.44) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL3453563 0.74 NPC1 (0.48) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL896998 0.73 PNMT (0.54) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL7190397 0.73 GPR84 (0.52) SRD5A2GABRPGABRDGABRA1GABRB1

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-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed