SCHEMBL6903079

SCHEMBL6903079

CC=C(c1ccccc1)C(c1ccccc1)c1ccc(C=CC(=O)NCCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
EGFR P00533 1/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6905265 0.81 HDAC1 (0.58) LMNAPKMHTTEGFRTDP1
SCHEMBL7209286 0.78 KDM4E (0.55) LMNAPKMALDH1A1KMT2AESR1
SCHEMBL6904774 0.78 TDP1 (0.45) LMNAPKMHTTALDH1A1KMT2A
SCHEMBL6904753 0.77 TDP1 (0.44) LMNAPKMHTTALDH1A1ESR1
SCHEMBL6440143 0.76 ESR1 (0.76) ESR1ESR2
SCHEMBL6440139 0.76 ESR1 (0.76) ESR1ESR2
SCHEMBL6898723 0.76 HDAC1 (0.48) LMNAPKMHTTEGFRTDP1
SCHEMBL6902263 0.76 ALDH1A1 (0.47) LMNAALDH1A1MAPT
SCHEMBL6901597 0.72 HDAC1 (0.48) LMNAALDH1A1KMT2AEGFRMMP1
SCHEMBL6898018 0.72 HDAC3 (0.45) PKMKMT2AESR1ESR2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO disclosed