SCHEMBL6347710

SCHEMBL6347710

CCN1C(=O)c2cccc3cc(C)cc(c23)C1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 0.75
▸ ALDH1A1 P00352 5/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ MPI P34949 1/20 0.59
▸ CACNA1B Q00975 1/20 0.59
▸ APBA1 Q02410 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ TNNI3 P19429 1/20 0.51

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
SCHEMBL117049 0.86 CYP1B1 (1.00) CYP1B1ALDH1A1HPGDCASP1MPI
SCHEMBL13893856 0.84 CYP1B1 (0.71) CYP1B1ALDH1A1HPGDCASP1MPI
SCHEMBL18017612 0.82 POLB (0.77) CYP1B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12672646 0.81 ALDH1A1 (0.51) CYP1B1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13211641 0.81 HEXA (0.78) CYP1B1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7703367 0.80 ERCC1 (0.70) CYP1B1ALDH1A1HPGDMEN1KMT2A
SCHEMBL6346852 0.78 CYP1B1 (0.60) CYP1B1ALDH1A1HPGDCASP1MPI
SCHEMBL13495341 0.77 ALDH1A1 (0.50) CYP1B1ALDH1A1HPGDMEN1KMT2A
SCHEMBL14560580 0.76 CYP1B1 (0.62) CYP1B1ALDH1A1HPGDCASP1MPI
SCHEMBL13319595 0.75 ALDH1A1 (0.61) CYP1B1ALDH1A1HPGDCASP1MEN1

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-8173226-B2 Polymerizable compound , polyethylene glycol mono(meth)acrylate, a polystyrene oligomer having a methacryloyl group at one terminal, acrylic macromonomer imides FUJIFILM CORPORATION (JP) 2012-05-08 — — US disclosed
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