SCHEMBL6740844

SCHEMBL6740844

CCC(=O)Oc1ccccc1NC(=O)OCc1ccc2oc(Cc3ccccc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
PLAU P00749 1/20 0.39
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
HTT P42858 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL5395874 0.86 FFAR1 (0.47) MAOBRAB9ANPC1MAOA
SCHEMBL6744828 0.80 MAOB (0.40) MAOBRAB9ANPC1TP53KMT2A
SCHEMBL6740849 0.79 MAOB (0.47) MAOBRAB9ANPC1PLAUATM
SCHEMBL5395598 0.79 HPSE (0.48) RAB9ANPC1TP53SMN1; SMN2
SCHEMBL5396482 0.75 TYR (0.53)
SCHEMBL5396475 0.75 TYR (0.53)
SCHEMBL8177216 0.73 HSD17B10 (0.50) MAOBRAB9ANPC1LMNAKMT2A
SCHEMBL5827815 0.72 KMT2A (0.52) RAB9ANPC1ATMKMT2AL3MBTL1
SCHEMBL28184488 0.70 NPC1 (0.56) RAB9ANPC1ATMKMT2AL3MBTL1
SCHEMBL11619290 0.68 CYP1A2 (0.46) LMNATP53KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US claimed