SCHEMBL8675993

SCHEMBL8675993

C=C(C)C(=O)c1c(C(=O)O)cc(C(=O)O)c(C(=O)O)c1CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
CFD P00746 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL7920487 0.86 GABRP (0.40) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL28242405 0.82
SCHEMBL28010268 0.80 GABRP (0.36) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL996689 0.77 GABRP (0.41) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL1321455 0.77 THRB (0.33) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL27655408 0.76 PTPN1 (0.30)
SCHEMBL11271660 0.76 HSD17B10 (0.34) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL27950466 0.75 KDM4E (0.38) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL14989249 0.74 GABRP (0.42) HSD17B10GABRPGABRDGABRA1GABRB1
SCHEMBL4626525 0.74 GABRP (0.39) HSD17B10GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733949-A Antimicrobial adhesive composition for dental uses KURARAY CO., LTD. (JP) 1998-03-31 US claimed
EP-0050996-B1 UNCURED FILLED COATING COMPOSITIONS AND CURED PRODUCTS THEREOF MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-03-28 EP disclosed
US-4427823-A Cured or uncured filled coating composition of polyfunctional acrylic-type acid ester and utilization thereof MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1984-01-24 US disclosed
EP-0050996-A1 Uncured filled coating compositions and cured products thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-05-05 EP disclosed