SCHEMBL7651252

SCHEMBL7651252

Cc1ccc(C(=O)c2ccccc2C(=O)OOC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.68
ALDH1A1 P00352 4/20 0.57
LMNA P02545 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.52
SRD5A2 P31213 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 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
SCHEMBL11189754 0.88 AKR1C3 (0.84) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL314 0.87 AKR1C3 (0.66) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL4463486 0.84 TSHR (0.70) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL28384877 0.84 AKR1C3 (0.85) AKR1C3ALDH1A1LMNATDP1KMT2A
SCHEMBL28796463 0.83 AKR1C3 (0.65) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL4733054 0.83 AKR1C3 (0.60) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL17713295 0.81 NR4A1 (0.68) AKR1C3ALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL503364 0.81 AKR1C3 (1.00) AKR1C3ALDH1A1LMNATDP1SRD5A2
SCHEMBL13622394 0.81 AKR1C3 (0.72) AKR1C3ALDH1A1LMNATDP1L3MBTL1
SCHEMBL29701296 0.81 AKR1C3 (1.00) AKR1C3ALDH1A1LMNATDP1SRD5A2

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
WO-2002044295-A2 ADHESIVE COMPOSITION AND OPTICAL DISK USING THE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-06 WO claimed