SCHEMBL7758809

SCHEMBL7758809

O=C(CCCC(=O)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.53
LMNA P02545 3/20 0.52
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
TSHR P16473 3/20 0.48
KMT2A Q03164 5/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL29172840 0.96 TDP1 (0.53) TDP1LMNAF2PRSS1CTSG
SCHEMBL11469404 0.94 HDAC3 (0.52) TDP1LMNAF2PRSS1CTSG
Hydrogen Peroxide SCHEMBL21612075 0.94 L3MBTL1 (0.55) TDP1LMNAF2PRSS1CTSG
SCHEMBL29089113 0.94 L3MBTL1 (0.55) TDP1LMNAF2PRSS1CTSG
SCHEMBL28654451 0.94 L3MBTL1 (0.55) TDP1LMNAF2PRSS1CTSG
SCHEMBL18583990 0.93 L3MBTL1 (0.47) TDP1LMNAF2PRSS1CTSG
SCHEMBL9318015 0.91 LMNA (0.56) TDP1LMNAF2PRSS1CTSG
SCHEMBL7202703 0.90 HDAC3 (0.56) TDP1LMNAF2PRSS1CTSG
Water SCHEMBL21440321 0.89 LMNA (0.54) TDP1LMNAF2PRSS1CTSG
SCHEMBL15485653 0.89 LMNA (0.54) TDP1LMNAF2PRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001072149-A1 WASHING OF FRUIT AND VEGETABLES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-10-04 WO disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed