SCHEMBL8490356

SCHEMBL8490356

CCN1CCCC(Oc2ccc(C(=O)c3ccc(OC)cc3-c3ccc(OC)cc3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 12/20 0.51
ESR1 P03372 2/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL8492168 0.89 ESR1 (0.54) KDM2BESR1KDM4EALDH1A1CHEK2
SCHEMBL8488729 0.88 ADRB2 (0.46) KDM2BKMT2ANPC1KDM4EALDH1A1
SCHEMBL8489816 0.87 ALDH1A1 (0.52) KMT2ANPC1ALDH1A1CHEK2
SCHEMBL8491305 0.83 CHEK2 (0.47) NPC1KDM4EALDH1A1MAPTCHEK2
SCHEMBL8490502 0.82 CHEK2 (0.53) CHEK2
SCHEMBL6603461 0.81 ESR1 (0.63) ESR1
SCHEMBL8490467 0.79 CHRM3 (0.44) ESR1KMT2A
SCHEMBL8487389 0.77 CHRNB2 (0.46) KDM2BESR1NPC1ALDH1A1CHEK2
SCHEMBL8486890 0.76 ESR1 (0.52) ESR1KMT2AGAA
SCHEMBL7502103 0.76 NPC1 (0.66) KMT2ANPC1KDM4EALDH1A1MAPT

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-1999015521-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-04-01 WO disclosed