SCHEMBL6668478

SCHEMBL6668478

C1=Cc2ccccc2[C](Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
PTPN1 P18031 2/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 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
SCHEMBL918007 0.78 SETD7 (0.38) PTPN1CYP1A2LMNACYP2D6CYP3A4
SCHEMBL18243518 0.76 SETD7 (0.36) PTPN1CYP1A2LMNACYP2D6CYP3A4
SCHEMBL4787417 0.74 GABRA1 (0.34) CYP1A2LMNACYP2D6CYP3A4ALDH1A1
SCHEMBL18242409 0.73 SETD7 (0.38) PTPN1CYP1A2CYP2D6ALDH1A1BCHE
SCHEMBL10419982 0.72 SETD7 (0.40) PTPN1NR1H3
SCHEMBL10760571 0.70 SETD7 (0.43) PTPN1NR1H3
SCHEMBL7214854 0.70 ALDH1A1 (0.38) PTPN1CYP1A2LMNACYP2D6MAOB
SCHEMBL27414354 0.70 CALM1 (0.52) CALM1CYP1A2LMNACYP2D6CYP3A4
SCHEMBL6487919 0.69 CES1 (0.43) PTPN1CYP1A2MAPK1LMNACYP2D6
Benzene SCHEMBL27503057 0.69 CES1 (0.43) PTPN1CYP1A2MAPK1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838459-B1 Naphthyl compounds, compositions, and methods LILLY CO ELI (US) 2004-09-22 EP disclosed
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
EP-0873992-B1 Indene compounds having activity as SERMs LILLY CO ELI (US) 2002-09-25 EP disclosed
US-6451817-B1 Alpha-substituted-1-benzyl-napthyls ELI LILLY AND COMPANY 2002-09-17 US disclosed
US-6384053-B1 POSTMENOPAUSE TREATMENT AND ANTICANCER AGENTS ELI LILLY AND COMPANY 2002-05-07 US disclosed