SCHEMBL13938176

SCHEMBL13938176

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)NC(CCCc3ccccc3)CCCc3ccccc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.56
MAPK1 P28482 1/20 0.49
HPGD P15428 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
SFRP1 Q8N474 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.45
BLM P54132 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1979688 0.96 STS (0.60) STSMAPK1GPR119KMT2APTPN2
SCHEMBL13938196 0.88 FKBP1A (0.49) STSMAPK1HPGDGPR119
SCHEMBL13938199 0.87 KDM4E (0.50) STSMAPK1HPGDGPR119KMT2A
SCHEMBL3917709 0.87 GPR119 (0.51) STSMAPK1GPR119KMT2AALDH1A1
SCHEMBL1980404 0.86 HSD17B10 (0.53) STSMAPK1KMT2ASFRP1
SCHEMBL1979225 0.86 USP30 (0.50) STSMAPK1HPGDGPR119KMT2A
SCHEMBL13938181 0.84 ALDH1A1 (0.48) KMT2AALDH1A1USP2KDM4EBLM
SCHEMBL3266038 0.83 YAP1 (0.60) STSGPR119KDM4EPKM
SCHEMBL3921527 0.83 MAPK1 (0.49) STSMAPK1GPR119KMT2A
SCHEMBL3266040 0.83 STS (0.45) STSMAPK1KMT2AALDH1A1HTT

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
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed