SCHEMBL3145437

SCHEMBL3145437

COC(=O)c1ccc2c3c(c4c(c2c1)OC(c1ccc(F)cc1)(c1ccc(F)cc1)C=C4)C(C)(C)c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.37
RXRA P19793 1/20 0.35
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HSD11B1 P28845 1/20 0.33
PARP1 P09874 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3142459 0.93 PDK2 (0.34) PDK2NPY5RKDM4EALDH1A1CNR1
SCHEMBL3151355 0.85 PGR (0.32)
SCHEMBL25604638 0.84 CA1 (0.38) PDK2KDM4EALDH1A1GPR84NPC1
SCHEMBL3136357 0.84 VDR (0.37) PDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL25603283 0.84 CA1 (0.35) KDM4EALDH1A1HSD11B1PARP1NPC1
SCHEMBL3953842 0.83 PGR (0.31)
SCHEMBL25604114 0.83 PGR (0.32) ALDH1A1MEN1KMT2A
SCHEMBL3146162 0.82 TDP1 (0.30)
SCHEMBL25603191 0.81 PDK2 (0.30) PDK2
SCHEMBL25606724 0.81 KDM4E (0.36) PDK2KDM4EALDH1A1MEN1KMT2A

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 11 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
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP claimed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO 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
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed