SCHEMBL3136357

SCHEMBL3136357

COC(=O)c1ccc2c(c1)C(C)(C)c1c3c(c4cc(C(=O)OC)ccc4c1-2)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 4/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
EIF4A1 P60842 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
PRTN3 P24158 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL1010912 0.93 KMT2A (0.39) VDRCA1CA2CYP2C9KMT2A
SCHEMBL3142459 0.91 PDK2 (0.34) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL25603283 0.91 CA1 (0.35) VDRCA1CA2KMT2AMAPT
SCHEMBL1010957 0.88 EIF4A1 (0.32) VDRCYP2C9KMT2AMAPTEIF4A1
SCHEMBL25844158 0.87 TP53 (0.35) VDRCA1CA2CYP2C9KMT2A
SCHEMBL1009527 0.86 LMNA (0.35) CA1CA2EIF4A1ELANECTSG
SCHEMBL26640830 0.86 HTT (0.36) CA1CA2KMT2AMAPTEIF4A1
SCHEMBL25604638 0.85 CA1 (0.38) CA1CA2KMT2AMAPTEIF4A1
SCHEMBL30476316 0.85 KDM4E (0.32) CA1CYP2C9KMT2AMAPTALDH1A1
SCHEMBL25601770 0.85 RXFP1 (0.36) CA1CA2MAPTEIF4A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP claimed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US claimed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US claimed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed