SCHEMBL11216211

SCHEMBL11216211

CC(C)c1cccc(C(=O)[O-])c1O.CC(C)c1cccc(C(=O)[O-])c1O.CC(C)c1cccc(C(=O)[O-])c1O.CC(C)c1cccc(C(=O)[O-])c1O.[Sn+4]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.57
HPGD P15428 3/20 0.57
GABRB2 P47870 2/20 0.57
GABRB1 P18505 2/20 0.57
GABRG2 P18507 2/20 0.57
GABRB3 P28472 2/20 0.57
LMNA P02545 2/20 0.57
FAAH O00519 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2C P28335 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
HTR2B P41595 1/20 0.57
GABRA2 P47869 1/20 0.57

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
SCHEMBL8882014 0.96 GABRA1 (0.57) GABRA1HPGDGABRB2GABRB1GABRG2
Zinc Ion SCHEMBL10763297 0.96 GABRA1 (0.57) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL8680640 0.82 GABRA1 (0.64) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL31123826 0.82 GABRA1 (0.64) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL31011017 0.81 HPGD (0.61) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL29484676 0.81 GABRA1 (0.61) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL20853605 0.81 GABRA1 (0.61) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL39140 0.81 HPGD (0.61) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL429128 0.81 GABRA1 (0.61) GABRA1HPGDGABRB2GABRB1GABRG2
SCHEMBL8377553 0.80 HPGD (0.54) GABRA1HPGDGABRB2GABRB1GABRG2

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
US-4373953-A IN RESIN BINDER TENNECO CHEMICALS, INC. (US) 1983-02-15 US disclosed