SCHEMBL11434643

SCHEMBL11434643

CC(C(=O)O)c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PTGS2 P35354 5/20 0.49
ECE1 P42892 1/20 0.48
TTR P02766 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
BCHE P06276 3/20 0.47
ACHE P22303 3/20 0.47
PTGS1 P23219 5/20 0.47
MAPT P10636 3/20 0.47
SLC22A6 Q4U2R8 2/20 0.47

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
SCHEMBL11485002 0.91 MMP12 (0.52) AKR1B1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29539979 0.84 TTR (0.58) AKR1B1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11423247 0.84 CSNK2A2 (0.43) AKR1B1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11067358 0.84 TTR (0.58) AKR1B1SMN1; SMN2MEN1KMT2ANPC1
Furcloprofen SCHEMBL30608641 0.82 PTGS2 (0.56) MEN1KMT2APTGS2TTRPTGS1
SCHEMBL11422966 0.82 AKR1C3 (0.43) AKR1B1MEN1KMT2ACYP1A2CYP2C9
Furcloprofen SCHEMBL287046 0.82 PTGS2 (0.56) MEN1KMT2APTGS2TTRPTGS1
SCHEMBL11434266 0.81 GABRP (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29887131 0.80 MEN1 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9916225 0.80 AHR (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4222944-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-16 US disclosed
US-4192809-A USED A ANTIINFLAMMATORY, ANALGESIC, AND ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-03-11 US disclosed
US-4097497-A ANTIINFLAMMATORY, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-06-27 US disclosed
US-4022805-A ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC HOFFMANN-LA ROCHE INC. (US) 1977-05-10 US disclosed