SCHEMBL9301233

SCHEMBL9301233

CCCCC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)CCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
ELANE P08246 1/20 0.46
CNR2 P34972 10/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
BDKRB2 P30411 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6650215 0.87 CNR2 (0.49) CNR2CNR1ALDH1A1
SCHEMBL448815 0.82 RARB (0.50) SRD5A2CNR2ALDH1A1
SCHEMBL8769760 0.81 CNR2 (0.49) CNR2HDAC3HDAC1HDAC2CNR1
SCHEMBL5486023 0.81 TP53 (0.53) SRD5A2CNR2CNR1ALDH1A1
Bicarbonate SCHEMBL10882220 0.80 ESR1 (0.59) CNR2ESR1ESR2CNR1ALDH1A1
SCHEMBL22155358 0.80 CNR2 (0.55) CNR2HDAC3HDAC1HDAC2CNR1
SCHEMBL446032 0.80 CNR2 (0.48) CNR2HDAC3HDAC1HDAC2CNR1
SCHEMBL24521549 0.79 RAB9A (0.56) ELANECNR2HDAC3
SCHEMBL199438 0.79 CNR2 (0.49) CNR2ESR1ESR2CNR1
SCHEMBL199439 0.79 ESR1 (0.68) CNR2ESR1ESR2CNR1

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-5356951-A (Meth)acrylate monomer; composite filler; glass powder; fine particle filler; photoinitiator; surface smoothness; less shrinkage GC CORPORATION (JP) 1994-10-18 US disclosed