SCHEMBL26512933

SCHEMBL26512933

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(-c3ccccc3)cc2)(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NTSR1 P30989 1/20 0.30

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
SCHEMBL26512939 0.97 WHR1 (0.31) WHR1
SCHEMBL26512886 0.96 NTSR1 (0.33) WHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL26512920 0.95 ABCG2 (0.31) WHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL26512929 0.94 WHR1 (0.30) WHR1
SCHEMBL26512892 0.92 BRD4 (0.37) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL26512895 0.92 BRD4 (0.37) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL25717226 0.92 EDNRB (0.32)
SCHEMBL25606273 0.92 EDNRB (0.32)
SCHEMBL26512983 0.92 MEN1 (0.32) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL26512888 0.91 NTSR1 (0.33) WHR1KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed