SCHEMBL23801802

SCHEMBL23801802

CCCCC(CC)Cn1c2ccc(C(C)=O)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
CNR2 P34972 2/20 0.44
ELANE P08246 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 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
SCHEMBL23801753 0.85 CNR2 (0.38) ALDH1A1HPGDCNR2ELANELMNA
SCHEMBL23801749 0.84 CNR2 (0.39) ALDH1A1HPGDCNR2ELANETSHR
SCHEMBL25515402 0.84 CNR2 (0.39) ALDH1A1HPGDCNR2ELANETSHR
SCHEMBL25515673 0.84 CNR2 (0.37) ALDH1A1HPGDCNR2ELANETSHR
SCHEMBL1978626 0.84 CNR2 (0.62) ALDH1A1HPGDCNR2LMNAMAPK1
SCHEMBL23801754 0.83 CNR2 (0.38) ALDH1A1HPGDCNR2ELANETSHR
SCHEMBL26941682 0.83 CNR2 (0.36) ALDH1A1HPGDCNR2ELANETSHR
SCHEMBL25515583 0.83 CNR2 (0.56) ALDH1A1HPGDCNR2LMNAPOLB
SCHEMBL23801750 0.82 CNR2 (0.37) ALDH1A1HPGDCNR2TSHRMAPK1
SCHEMBL31346593 0.81 CNR2 (0.36) ALDH1A1HPGDCNR2CNR1NPC1

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-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed