SCHEMBL5174129

SCHEMBL5174129

C#CC(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.54
ACP3 P15309 1/20 0.51
CA4 P22748 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LTA4H P09960 2/20 0.47
GAA P10253 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TRPA1 O75762 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL6832785 0.92 CA1 (0.50) PBRM1ACP3ALDH1A1GAAL3MBTL1
SCHEMBL2106150 0.81 TSHR (0.41) ALDH1A1GAAL3MBTL1TRPA1RAB9A
SCHEMBL9186560 0.81 ACP3 (0.56) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL5055339 0.81 ALDH1A1 (0.58) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL7256561 0.80 SLC2A1 (0.66) ALDH1A1GAAL3MBTL1CA12CA1
SCHEMBL17616547 0.78 ACP3 (0.49) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL2153572 0.78 ACP3 (0.56) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL19282953 0.78 ACP3 (0.56) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL13295537 0.77 SLC2A1 (0.61) PBRM1ACP3CA4ALDH1A1LTA4H
SCHEMBL8429413 0.77 PBRM1 (0.62) PBRM1ACP3CA4ALDH1A1LTA4H

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-3898636-B9 INDOLONAPHTHOPYRANS TRANSITIONS OPTICAL LTD (IE) 2023-11-08 EP disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed