SCHEMBL19665046

SCHEMBL19665046

O=C(O)c1cccc(OCCOCCOc2cccc(C(=O)O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.73
NR4A2 P43354 7/20 0.63
PKM P14618 1/20 0.58
AKR1C3 P42330 1/20 0.58
PLA2G4B P0C869 1/20 0.57
NR1H4 Q96RI1 3/20 0.56
POLB P06746 1/20 0.56
TBXAS1 P24557 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
PRSS1 P07477 1/20 0.53

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
SCHEMBL10787479 0.94 KMT2A (0.80) KMT2ANR4A2PKMAKR1C3PLA2G4B
SCHEMBL30167982 0.94 KMT2A (0.80) KMT2ANR4A2PKMAKR1C3PLA2G4B
SCHEMBL6929972 0.92 KMT2A (0.68) KMT2ANR4A2PKMPLA2G4BNR1H4
SCHEMBL6932542 0.91 KMT2A (0.75) KMT2ANR4A2PKMAKR1C3PLA2G4B
SCHEMBL9803295 0.91 KMT2A (0.80) KMT2ANR4A2AKR1C3PLA2G4BNR1H4
SCHEMBL15122761 0.90 KMT2A (0.74) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL4509654 0.89 KMT2A (0.77) KMT2ANR4A2AKR1C3PLA2G4BNR1H4
SCHEMBL23754680 0.87 KMT2A (0.61) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL1665041 0.86 KMT2A (0.73) KMT2ANR4A2PKMAKR1C3PLA2G4B
SCHEMBL30517635 0.86 KMT2A (0.73) KMT2ANR4A2PKMAKR1C3PLA2G4B

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-10060242-B2 Traceable metal-organic frameworks for use in subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2018-08-28 US disclosed
US-20170350225-A1 TRACEABLE METAL-ORGANIC FRAMEWORKS FOR USE IN SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2017-12-07 US disclosed