SCHEMBL11599376

SCHEMBL11599376

O=C(OP(OC(=O)C(O)SCc1ccccc1)OC(=O)C(O)SCc1ccccc1)C(O)SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX1 P07099 3/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37

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
SCHEMBL3294142 0.78 PPARG (0.47) POLBCYP1A2IDO1L3MBTL1CYP2C19
SCHEMBL6748085 0.78 ALDH1A1 (0.50) ALDH1A1POLBCYP1A2CYP2C9IDO1
Hydrochloric Acid SCHEMBL7054009 0.77 PPARG (0.46) POLBCYP1A2IDO1L3MBTL1CYP2C19
SCHEMBL11599096 0.74 LMNA (0.38) ALDH1A1POLBL3MBTL1SMN1; SMN2ALKBH5
Glycolic Acid SCHEMBL9427710 0.72 CYP2C19 (0.44) POLBCYP1A2IDO1L3MBTL1CYP2C19
SCHEMBL11545644 0.72 PPARG (0.47) ALDH1A1POLBCYP1A2CYP2C9L3MBTL1
SCHEMBL11599382 0.69 MME (0.53) CYP1A2
SCHEMBL6954426 0.69 PPARG (0.49) POLBCYP1A2IDO1L3MBTL1CYP2C19
SCHEMBL28065856 0.68 EPHX1 (0.59) CYP1A2L3MBTL1CYP2C19PPARGPPARA
SCHEMBL7366107 0.68 ALDH1A1 (0.55) ALDH1A1POLBCYP1A2CYP2C9L3MBTL1

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-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed