SCHEMBL7122472

SCHEMBL7122472

C#CC(O)(c1ccc(C)cc1)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
KCNN4 O15554 5/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
MLYCD O95822 1/20 0.33
CCR6 P51684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 3/20 0.33
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 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
SCHEMBL9670139 0.86 KCNN4 (0.47) KCNN4KCNE1KCNQ1ALDH1A1KIF11
SCHEMBL7123446 0.83 RELA (0.42) NFE2L2KMT2APOLBMEN1LMNA
SCHEMBL4796677 0.80 MEN1 (0.44) KMT2APOLBMEN1LMNAALDH1A1
SCHEMBL8782519 0.80 TSHR (0.44) KMT2AMEN1LMNAALDH1A1NPC1
SCHEMBL10384133 0.78 ATM (0.41) KCNN4KCNE1KCNQ1KMT2AALDH1A1
SCHEMBL7816756 0.78 CYP19A1 (0.40) NFE2L2KMT2APOLBMEN1LMNA
SCHEMBL8718999 0.76 KMT2A (0.39) NFE2L2KCNN4KCNE1KCNQ1KMT2A
SCHEMBL1792658 0.76 MAPT (0.42) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL10102374 0.76 CYP2C9 (0.43) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL1813246 0.75 HIF1A (0.41) KMT2APOLBMEN1LMNAALDH1A1

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-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed