SCHEMBL19037005

SCHEMBL19037005

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)C1C=CC=CC1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.35
▸ LTA4H P09960 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ REN P00797 1/20 0.32
▸ BDKRB2 P30411 1/20 0.32
▸ KLKB1 P03952 2/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ PLG P00747 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MMP1 P03956 1/20 0.31

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
SCHEMBL17531778 0.83 TAAR1 (0.43) TAAR1LTA4HKMT2ANPC1RAB9A
SCHEMBL22070158 0.79 TAAR1 (0.46) TAAR1LTA4HKMT2ARAB9ASMN1; SMN2
SCHEMBL19375787 0.74 LTA4H (0.44) TAAR1LTA4HKMT2ANPC1RAB9A
SCHEMBL24797599 0.73 REN (0.46) KMT2ARENMEN1
SCHEMBL25854493 0.73 REN (0.46) KMT2ARENMEN1
SCHEMBL19318327 0.73 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL22001798 0.73 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL20356318 0.73 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL17615149 0.73 TAAR1 (0.43) TAAR1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL17531777 0.71 MEN1 (0.44) KMT2ARENMEN1KDM1AMAOA

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
EP-3184540-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF Yafei Shanghai Biolog Medicine Science& Technology (CN) 2017-06-28 — — EP disclosed
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