SCHEMBL3731201

SCHEMBL3731201

O=C(O)C1(C(=O)O)CCCCC1(c1ccccc1O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
HDAC4 P56524 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL12842002 0.77 AKR1C1 (0.64) AKR1C1HDAC4NPSR1THRBTDP1
SCHEMBL3918459 0.76 AKR1C1 (0.62) AKR1C1HDAC4NPSR1THRBTDP1
SCHEMBL2050986 0.73 AKR1C1 (0.59) AKR1C1HDAC4NPSR1THRBTDP1
SCHEMBL3737207 0.73 ESR2 (0.48) AKR1C1HDAC4NPSR1MEN1KMT2A
SCHEMBL3738555 0.71 AKR1C1 (0.43) AKR1C1MEN1KMT2ACA12CA1
SCHEMBL15108974 0.71 AKR1C1 (0.55) AKR1C1HDAC4THRBTDP1MEN1
SCHEMBL27586088 0.69 AKR1C1 (0.48) AKR1C1HDAC4NPSR1MEN1KMT2A
Biphenyl SCHEMBL5464808 0.69 AKR1C1 (0.47) AKR1C1NPSR1THRBTDP1SMN1; SMN2
SCHEMBL9188088 0.68 AKR1C1 (0.47) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL29415365 0.68 ESR1 (0.44) AKR1C1HDAC4TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7823614-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2010-11-02 US disclosed
US-20090229728-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-09-17 US disclosed
US-7491840-B2 Compound and composition containing the same MITSUI CHEMICALS, INC. (JP) 2009-02-17 US disclosed