SCHEMBL27635940

SCHEMBL27635940

O=C(NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.88
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
GPR132 Q9UNW8 2/20 0.61
MRGPRX4 Q96LA9 1/20 0.58
TACR1 P25103 6/20 0.57
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
LTA4H P09960 1/20 0.57
PLA2G2A P14555 1/20 0.57
PTPN1 P18031 2/20 0.56
LNPEP Q9UIQ6 1/20 0.56
ERAP2 Q6P179 1/20 0.56

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
SCHEMBL27635939 1.00 PPARG (0.88) PPARGMEN1KMT2AGPR132MRGPRX4
SCHEMBL27656942 0.90 PPARG (0.75) PPARGMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL27656944 0.90 PPARG (0.75) PPARGMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL23097226 0.89 PPARG (0.73) PPARGMEN1KMT2ATACR1HSP90AA1
SCHEMBL22892483 0.89 PPARG (0.73) PPARGMEN1KMT2ATACR1HSP90AA1
SCHEMBL29400386 0.89 PPARG (0.73) PPARGMEN1KMT2ATACR1HSP90AA1
SCHEMBL28715267 0.89 PPARG (0.73) PPARGMEN1KMT2ATACR1HSP90AA1
SCHEMBL22091570 0.88 PPARG (0.72) PPARGMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL22091569 0.88 PPARG (0.72) PPARGMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL27656943 0.88 PPARG (0.72) PPARGMEN1KMT2AHSP90AA1HSP90AB1

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
CN-100361973-C Benzyloxy-substituted tryptophan derivative, its analogs, production and use thereof UNIV FUDAN (CN) 2008-01-16 CN disclosed
CN-1817861-A Benzyloxy-substituted tryptophan derivative, its analogs, production and use thereof UNIV FUDAN (CN) 2006-08-16 CN disclosed