SCHEMBL11663289

SCHEMBL11663289

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.48
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ IL1RN P18510 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ ERAP1 Q9NZ08 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
SCHEMBL11662218 0.90 MEN1 (0.53) MMP2MAOBMAPTCYP19A1MEN1
SCHEMBL11665462 0.86 MMP2 (0.49) MMP2MAOBMAPTCRHBPCRHR2
SCHEMBL11665460 0.86 MMP2 (0.49) MMP2MAOBMAPTCRHBPCRHR2
SCHEMBL11660804 0.85 PPARG (0.46) MMP2MAOBMAPTCRHBPCRHR2
SCHEMBL11664308 0.84 MMP2 (0.64) MMP2MAOBMAPTCYP19A1KCNH2
SCHEMBL11664907 0.81 MEN1 (0.63) MMP2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11664904 0.80 MEN1 (0.61) MMP2MAPTMEN1KMT2A
SCHEMBL8933432 0.80 MMP2 (0.54) MMP2MAOBCYP19A1KMT2A
SCHEMBL11664047 0.80 MAPT (0.55) MAOBMAPTCRHBPCRHR2KCNH2
SCHEMBL9052704 0.80 MMP2 (0.54) MMP2MAOBCYP19A1KMT2A

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
Send feedback