SCHEMBL30141003

SCHEMBL30141003

COC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1F

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
FFAR4 Q5NUL3 1/20 0.49
NPC1 O15118 1/20 0.47
BRD4 O60885 3/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL24983669 1.00 LMNA (0.56) LMNAHPGDFFAR4NPC1BRD4
SCHEMBL24983419 0.90 LMNA (0.51) LMNAHPGDFFAR4NPC1BRD4
SCHEMBL30141092 0.90 LMNA (0.51) LMNAHPGDFFAR4NPC1BRD4
SCHEMBL13662895 0.86 LMNA (0.58) LMNAHPGDFFAR4BRD4USP2
SCHEMBL30141095 0.86 FOLH1 (0.52) NPC1ALDH1A1CTSVCTSLL3MBTL1
SCHEMBL6761323 0.86 FOLH1 (0.52) NPC1ALDH1A1CTSVCTSLL3MBTL1
SCHEMBL30892443 0.86 LMNA (0.46) LMNAHPGDALDH1A1TSHRL3MBTL1
SCHEMBL24983853 0.86 LMNA (0.46) LMNAHPGDALDH1A1TSHRL3MBTL1
SCHEMBL24983872 0.85 MEN1 (0.48) LMNAHPGDNPC1ALDH1A1TSHR
SCHEMBL4307561 0.84 LMNA (0.56) LMNAHPGDBRD4USP2ALDH1A1

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
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
WO-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 WO disclosed