SCHEMBL7807844

SCHEMBL7807844

C#CC(O)(c1ccc2c(c1)CCO2)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KCNH2 Q12809 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
MAP3K14 Q99558 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
KCNN4 O15554 2/20 0.33
DYRK3 O43781 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL7818520 0.85 PRKCI (0.40) PRKCICTNNB1WNT3AERN1KDM4E
SCHEMBL7817042 0.83 ERN1 (0.39) PRKCICTNNB1WNT3AERN1KDM4E
SCHEMBL6168470 0.76 MEN1 (0.41) PRKCIERN1KDM4ENPC1RAB9A
SCHEMBL9670139 0.72 KCNN4 (0.47) KDM4EKCNH2KCNN4
SCHEMBL8718999 0.72 KMT2A (0.39) POLBKCNN4
SCHEMBL7122472 0.70 NFE2L2 (0.38) NPC1RAB9APKMPOLBKCNN4
SCHEMBL16011397 0.70 LMNA (0.41) KDM4EKCNH2NPC1RAB9APKM
SCHEMBL9101496 0.70 MEN1 (0.39) KDM4ENPC1RAB9AMAPT
SCHEMBL15750028 0.69 KCNH2 (0.49) PRKCICTNNB1WNT3AERN1KDM4E
SCHEMBL10384133 0.69 ATM (0.41) RAB9AKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed