SCHEMBL26512683

SCHEMBL26512683

COc1cc2c3c(c4c(c2cc1OC)-c1ccccc1C4(C)C)C=CC(c1ccc(F)cc1)(c1ccc(-c2nc(F)nc(F)n2)cc1)O3

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL26512652 0.94 TP53 (0.32) NPC1RAB9ASMN1; SMN2ABCG2
SCHEMBL26512655 0.94 HSP90AA1 (0.34) KDM4ENPC1ALDH1A1HPGDTSHR
SCHEMBL26512692 0.93 KDM4E (0.30) KDM4ENPC1ALDH1A1HPGDTSHR
SCHEMBL26512736 0.92 MEN1 (0.33) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL26514840 0.92 CCNE2 (0.32) HSP90AA1ABCG2
SCHEMBL26512955 0.90
SCHEMBL26512661 0.90 WHR1 (0.32) HSP90AA1ABCG2
SCHEMBL26512657 0.90 HSP90AA1 (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2HSP90AA1
SCHEMBL26513240 0.89 WHR1 (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL26512662 0.89 WHR1 (0.34) KDM4ENPC1ALDH1A1HPGDRAB9A

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