SCHEMBL6652685

SCHEMBL6652685

COc1ccc2c(C)c(C(=O)O)c(C)c(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.48
DHODH Q02127 2/20 0.46
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
LDHA P00338 1/20 0.43
LDHB P07195 1/20 0.43
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9898347 0.78 DHODH (0.50) KDM4EALDH1A1GAADHODHHSD17B10
SCHEMBL28261472 0.78 KDM4E (0.50) KDM4EALDH1A1GAADHODHHSD17B10
SCHEMBL28261476 0.75 KDM4E (0.50) KDM4EALDH1A1GAADHODHHSD17B10
SCHEMBL6652410 0.75 KDM4E (0.52) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL7815882 0.75 KDM4E (0.50) KDM4EALDH1A1GAADHODHPOLB
SCHEMBL5160775 0.74 PDE10A (0.49) KDM4EALDH1A1DHODHHSD17B10HPGD
SCHEMBL6273226 0.73 ALDH1A1 (0.50) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL11869454 0.73 DHODH (0.63) KDM4EALDH1A1GAADHODHPOLB
SCHEMBL7456021 0.71 KDM4E (0.58) KDM4EALDH1A1GAADHODHPOLB
SCHEMBL14192902 0.71 KDM4E (0.52) KDM4EALDH1A1GAAPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835870-B1 Photochromic substituted naphthopyrans PPG IND OHIO INC (US) 2004-03-03 EP disclosed
EP-0835870-A1 Photochromic substituted naphthopyrans PPG INDUSTRIES, INC. (US) 1998-04-15 EP disclosed
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed