SCHEMBL28021940

SCHEMBL28021940

O=C(O)c1cccc(Oc2c(-c3ccccc3)ccc(-c3ccccc3)c2Oc2cccc(C(=O)O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
KMO O15229 2/20 0.53
NR4A2 P43354 2/20 0.51
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
FABP1 P07148 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C8 P10632 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL21177733 0.94 AKR1C3 (0.67) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL28022309 0.88 AKR1C3 (0.59) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL28106291 0.87 AKR1C3 (0.55) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL21179471 0.83 AKR1C3 (0.61) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL29964068 0.82 AKR1C3 (0.64) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL5043190 0.82 AKR1C3 (0.64) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL30307437 0.82 AKR1C3 (0.55) AKR1C3KMONR4A2PRKAG1PRKAA2
SCHEMBL28021939 0.81 SRD5A2 (0.58) NR4A2POLB
SCHEMBL5042777 0.81 AKR1C3 (0.79) AKR1C3KMONR4A2FABP1MRGPRX4
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL29522837 0.81 AKR1C3 (1.00) AKR1C3KMONR4A2FABP1MRGPRX4

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
CN-104854165-A Resin precursor, resin composition containing the same, resin film and method for producing the same, and laminate and method for producing the same ASAHI KASEI E MATERIALS CORP 2015-08-19 CN disclosed