SCHEMBL9214901

SCHEMBL9214901

COC(=O)/C(Br)=C(/OC)c1c(CBr)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.40
NCEH1 Q6PIU2 3/20 0.39
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 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
SCHEMBL9223392 0.85 MEN1 (0.44) MMP3SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL1648632 0.80 NCEH1 (0.54) MMP3NCEH1ATMSMN1; SMN2HPGD
SCHEMBL9618295 0.75 PTPN1 (0.44) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL6844838 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL27876343 0.68 NCEH1 (0.56) MMP3NCEH1ATMSMN1; SMN2KDM4E
SCHEMBL27854517 0.68 NCEH1 (0.52) MMP3NCEH1ATMMAPTNPC1
SCHEMBL27854489 0.67 NCEH1 (0.51) MMP3NCEH1ATMMAPTMEN1
SCHEMBL19320915 0.66 KDM4E (0.43) MMP3NCEH1ATMKDM4EALDH1A1
SCHEMBL7666433 0.66 NCEH1 (0.43) NCEH1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6041838 0.66 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDTDP1

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
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed