SCHEMBL25844437

SCHEMBL25844437

COc1cc2c3c(c4c(c2cc1OC)-c1ccc(C)cc1C4(C)C)C=CC(c1ccccc1)(c1ccccc1)O3

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 2/20 0.31

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
SCHEMBL25844440 0.95 MAPT (0.33) CES2
SCHEMBL25844438 0.91 CA12 (0.31) CA12CA1CA7CA9CA13
SCHEMBL25605048 0.90 CA12 (0.32) CA12CA1CA7CA9CA13
SCHEMBL25844471 0.90 CA12 (0.31) CA12CA1CA7CA9CA13
SCHEMBL25844451 0.89 ALK (0.33) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL25844692 0.89 KDM4E (0.34) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL25844007 0.88 LMNA (0.30) LMNA
SCHEMBL26659797 0.88 CA12 (0.31) CA12CA1CA7CA9CA13
SCHEMBL25605278 0.88 NR3C1 (0.32) CA12CA1CA7CA9CA13
SCHEMBL15458340 0.87 CA12 (0.30) CA12CA1CA7CA9CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed