SCHEMBL11698641

SCHEMBL11698641

Cc1ccc(C[C]=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.33
NR2F2 P24468 1/20 0.33
NOD2 Q9HC29 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5255980 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL30267851 0.80 PTPRC (0.38) HPGDALDH1A1KDM4ETSHRTDP1
SCHEMBL11811358 0.80 PTPRC (0.38) HPGDALDH1A1KDM4ETSHRTDP1
SCHEMBL17704659 0.76 ESR1 (0.48) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL11698902 0.76 TSHR (0.42) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL11699828 0.76 SKP2 (0.52) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL11699151 0.76 ALOX15 (0.45)
SCHEMBL8943857 0.76 ALDH1A1 (0.46) HPGDALDH1A1KMT2AKDM4EGAA
SCHEMBL28122001 0.76 MAPT (0.50) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL29783216 0.74 HPGD (0.39) HPGDALDH1A1MEN1KMT2AKDM4E

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-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed