SCHEMBL11660804

SCHEMBL11660804

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.46
▸ IL1RN P18510 2/20 0.45
▸ ERAP2 Q6P179 2/20 0.45
▸ ERAP1 Q9NZ08 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL11663832 0.88 ITGB3 (0.47) PPARGIL1RNERAP2ERAP1ITGB3
SCHEMBL11663289 0.85 MMP2 (0.48) IL1RNERAP2ERAP1MAPTMAOB
SCHEMBL11662219 0.81 CTSL (0.53) PPARGITGB3ITGA2BMEN1KMT2A
SCHEMBL11666177 0.80 CTSS (0.47) PPARGITGB3ITGA2BMEN1KMT2A
SCHEMBL14515253 0.78 MAPT (0.55) MAPTMAOBCRHBPCRHR2KCNH2
SCHEMBL11664047 0.78 MAPT (0.55) MAPTMAOBCRHBPCRHR2KCNH2
SCHEMBL14515255 0.78 MAPT (0.55) MAPTMAOBCRHBPCRHR2KCNH2
SCHEMBL11662218 0.76 MEN1 (0.53) MAPTMAOBMEN1KMT2AMMP2
SCHEMBL11664308 0.76 MMP2 (0.64) MAPTMAOBKCNH2MMP2CYP19A1
SCHEMBL11205081 0.76 MEN1 (0.48) MEN1KMT2A

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-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 — — US disclosed
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