SCHEMBL23917846

SCHEMBL23917846

CSc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ATM Q13315 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL31500033 0.86 LMNA (0.52) CNR1CNR2CYP2C9HPGDUSP5
SCHEMBL6182687 0.85 PLK1 (0.61) PLK1CYP2C9NFKB1CYP1A2CYP3A4
SCHEMBL1148332 0.85 CNR1 (0.58) CNR1CNR2CYP2C9HPGDUSP5
SCHEMBL4556108 0.83 SLC6A4 (0.52) AKR1C3AKR1C2ACACBHTTALDH1A1
SCHEMBL20082815 0.83 CNR1 (0.46) CNR1CNR2CYP2C9CYP1A2CYP3A4
SCHEMBL28929562 0.80 LMNA (0.52) CNR1CNR2CYP2C9HPGDUSP5
SCHEMBL23917958 0.80 CNR1 (0.50) CNR1CNR2CYP2C9HPGDUSP5
SCHEMBL7808792 0.80 AKR1C3 (0.58) PLK1CNR1CNR2CYP2C9NFKB1
SCHEMBL31472599 0.79 HAO1 (0.58) PLK1CYP2C9NFKB1CYP1A2CYP3A4
SCHEMBL28415302 0.79 CNR1 (0.57) CNR1CNR2CYP2C9USP5ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037453-B2 Aromatic polyethers containing a biosourced furan diol ROQUETTE FRERES (FR) 2024-07-16 US disclosed
US-20210317265-A1 AROMATIC POLYETHERS CONTAINING A BIOSOURCED FURAN DIOL CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-10-14 US disclosed