SCHEMBL18301502

SCHEMBL18301502

N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ DPP4 P27487 2/20 0.39
▸ FAP Q12884 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ GRB2 P62993 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ FABP7 O15540 2/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ CA1 P00915 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
SCHEMBL8933068 0.90 PTPN1 (0.54) KMT2APTPN1
SCHEMBL2820518 0.83 ACACB (0.40) KMT2APTPN1PPARGPPARAFABP7
SCHEMBL18986722 0.83 EPHX2 (0.42) KMT2AFABP7FABP5EPHX2CA1
SCHEMBL8064068 0.81 DPP4 (0.41) KMT2APTPN1DPP4FABP7FABP5
SCHEMBL2311742 0.80 MDM2 (0.43) KMT2AMDM2PTPN1GRB2PPARG
SCHEMBL2358897 0.80 MDM2 (0.43) KMT2AMDM2PTPN1GRB2PPARG
SCHEMBL599716 0.79 EPHX2 (0.38) KMT2AMDM2GRB2EPHX2CA1
SCHEMBL7369838 0.78 KMT2A (0.41) KMT2ADPP4DPP8DPP9FABP7
SCHEMBL9359183 0.76 ALDH1A1 (0.44) KMT2APTPN1FABP7FABP5EPHX2
SCHEMBL8035578 0.76 KMT2A (0.41) KMT2AFABP7FABP5EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303367-A1 STABILIZED MINIMAL COILED-COIL MIMETICS New York University (US) 2018-04-11 — — EP disclosed
WO-2016201007-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY (US) 2016-12-15 — — WO disclosed
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