SCHEMBL7950211

SCHEMBL7950211

CCc1cccc(OC(=O)O)c1CC(C)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7942083 0.86 TSHR (0.43) TSHRPOLBGABRA1GABRB2ALDH1A1
SCHEMBL7950209 0.82 TSHR (0.45) TSHRLTB4RLTB4R2GABRA1GABRB2
SCHEMBL2021180 0.78 TSHR (0.56) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL1836388 0.76 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL2022076 0.75 TSHR (0.63) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL7942081 0.74 TSHR (0.44) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL248040 0.74 GABRA1 (0.46) GABRA1GABRB2ALDH1A1HPGDHSD17B10
SCHEMBL2022485 0.74 TSHR (0.58) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL5684896 0.74 TSHR (0.46) TSHRPOLBMAPK1GABRA1GABRB2
SCHEMBL5951024 0.73 TSHR (0.46) TSHRMAPK1GABRA1GABRB2

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-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed