SCHEMBL10923308

SCHEMBL10923308

COC(=O)CCc1ccc2c(c1)C(O)c1ccccc1CO2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
TP53 P04637 1/20 0.40
TBXAS1 P24557 2/20 0.39
TBXA2R P21731 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10926559 0.94 SELP (0.39) TP53TBXAS1TBXA2R
SCHEMBL7513748 0.89 MAPT (0.43) TBXAS1TBXA2RMAPT
SCHEMBL10922047 0.84 CHRM5 (0.40) TBXAS1TBXA2R
SCHEMBL10923566 0.81 TBXA2R (0.52) TBXAS1TBXA2R
SCHEMBL9749953 0.81 TBXAS1 (0.37) TBXAS1
SCHEMBL7518917 0.79 PARP1 (0.41) TBXAS1TBXA2RPOLBMAPTTDP1
SCHEMBL10563521 0.79 TSHR (0.47) TBXAS1TBXA2R
SCHEMBL10565563 0.79 AKR1B1 (0.57) TBXAS1TBXA2R
SCHEMBL4009695 0.79 MAPT (0.43) TBXAS1TBXA2RMAPT
SCHEMBL10562607 0.79 MAPT (0.43) TBXAS1TBXA2RMAPT

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
EP-0188802-A2 Dibenz (b,e) oxepin derivative and antiallergic agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-07-30 EP disclosed