SCHEMBL8777320

SCHEMBL8777320

O=C(Oc1ccccc1C(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.69
HSD17B10 Q99714 7/20 0.66
KDM4E B2RXH2 7/20 0.66
HPGD P15428 5/20 0.66
ALDH1A1 P00352 4/20 0.66
ESR1 P03372 3/20 0.65
ESR2 Q92731 2/20 0.65
LMNA P02545 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
KMT2A Q03164 6/20 0.61
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61

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
SCHEMBL30505635 0.98 SLC6A3 (0.71) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL1979275 0.98 SLC6A3 (0.71) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL28263594 0.94 HSD17B10 (0.72) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11280439 0.94 KDM4E (0.68) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11273464 0.91 KDM4E (0.64) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11284614 0.89 HSD17B10 (0.62) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL4846409 0.87 ESR1 (0.69) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL113040 0.86 SLC6A3 (0.71) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL30343057 0.86 KDM4E (0.58) SLC6A3HSD17B10KDM4EHPGDALDH1A1
SCHEMBL11121859 0.86 HSD17B10 (0.58) SLC6A3HSD17B10KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010679-B Synthesis method of water-soluble benzoxazine 濮阳市恩赢高分子材料有限公司 2024-01-23 CN claimed
CN-114521555-B Preparation and application of sorghum stress-resistance lodging-resistance regulator 中国农业科学院作物科学研究所 2024-02-27 CN disclosed
CN-115010679-B Synthesis method of water-soluble benzoxazine 濮阳市恩赢高分子材料有限公司 2024-01-23 CN disclosed
EP-0682696-B1 OXIDISING AGENTS WARWICK INT GROUP (GB) 1997-12-10 EP disclosed
EP-0682696-A1 OXIDISING AGENTS Warwick International Group Limited (GB) 1995-11-22 EP disclosed
EP-0682694-A1 OXIDISING AGENTS WARWICK INTERNATIONAL GROUP LIMITED (Company No. 2982784) (GB) 1995-11-22 EP disclosed
WO-1994018299-A1 OXIDISING AGENTS WARWICK INTERNATIONAL GROUP LIMITED (GB) 1994-08-18 WO disclosed
WO-1994018297-A1 OXIDISING AGENTS WARWICK INTERNATIONAL GROUP LIMITED (GB) 1994-08-18 WO disclosed