SCHEMBL9056652

SCHEMBL9056652

O=C(C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 2/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP2C19 P33261 2/20 0.43
KCNN4 O15554 1/20 0.43
HIF1A Q16665 1/20 0.43
PLK4 O00444 2/20 0.42
DAPK3 O43293 2/20 0.42
MAP4K4 O95819 2/20 0.42
PRKCG P05129 2/20 0.42
PIM1 P11309 2/20 0.42
PHKG2 P15735 2/20 0.42
CDK2 P24941 2/20 0.42

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
SCHEMBL408186 0.85 KMT2A (0.48) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL7066 0.83 CYP2C9 (0.74) CYP2C9CYP1A2HTTLMNAL3MBTL1
SCHEMBL28711201 0.82 KMT2A (0.60) HTTSMN1; SMN2KMT2AMEN1GAA
Benzylic Acid SCHEMBL1681667 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL9568239 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL868225 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL1680669 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL11049826 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL20957595 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1
Benzylic Acid SCHEMBL5705762 0.81 CYP2C9 (0.71) CYP2C9CYP1A2HTTLMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8277241-A None JP disclosed
JP-H08277241-A PRODUCTION OF HYDROXYPHENYLBENZYL KETONES AND CRYSTALLINE TRANSFORMATION NIPPON KAYAKU CO LTD 1996-10-22 JP disclosed
US-4166862-A WEIGHT-GAIN PROMOTERS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-09-04 US disclosed
US-3949085-A Anabolic-weight-gain promoting compositions containing isoflavone derivatives and method using same CHINOIN GYOGYSZER-ES VEGYESZETI TERMAKEK GYARA RT (HU) 1976-04-06 US disclosed