SCHEMBL11545644

SCHEMBL11545644

C[Sn](C)C.O=C(O)C(O)SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
EPHX1 P07099 4/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 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
SCHEMBL3294142 0.93 PPARG (0.47) PPARGPPARAL3MBTL1POLBATM
Hydrochloric Acid SCHEMBL7054009 0.91 PPARG (0.46) PPARGPPARAL3MBTL1POLBATM
Glycolic Acid SCHEMBL9427710 0.86 CYP2C19 (0.44) PPARGPPARAL3MBTL1POLBATM
SCHEMBL28173073 0.78 SLC7A5 (0.47) POLBSMN1; SMN2CYP2C19ALDH1A1CYP2C9
SCHEMBL9659013 0.76 TDP1 (0.47) PPARGPPARAL3MBTL1POLBSMN1; SMN2
SCHEMBL44800 0.76 L3MBTL1 (0.56) PPARGPPARAL3MBTL1POLBATM
SCHEMBL28721831 0.76 KEAP1 (0.47) SMN1; SMN2CYP1A2ALDH1A1ALPIPKM
Ethylbenzene SCHEMBL27597453 0.75 TP53 (0.50) PPARGPPARAL3MBTL1POLBCYP1A2
Diphenylmethane SCHEMBL27880851 0.75 LMNA (0.46) PPARGPPARAL3MBTL1CYP1A2ALPI
SCHEMBL6954426 0.75 PPARG (0.49) PPARGPPARAL3MBTL1POLBATM

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-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed