SCHEMBL13938201

SCHEMBL13938201

CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCCCC2C(=O)NC(CCCc2ccccc2)CCCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSL P07711 1/20 0.47
CTSK P43235 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
USP30 Q70CQ3 1/20 0.44
CTRB1 P17538 1/20 0.43
PIN1 Q13526 2/20 0.42

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
SCHEMBL13938196 0.92 FKBP1A (0.49) FKBP1AF2PRSS1CTSLCTSK
SCHEMBL1986802 0.89 FKBP1A (0.48) FKBP1AF2PRSS1CTSLCTSK
SCHEMBL13938199 0.88 KDM4E (0.50) KDM4EKMT2AUSP30
SCHEMBL1979768 0.88 FKBP1A (0.52) FKBP1AF2PRSS1CTSLCTSK
SCHEMBL1979169 0.88 FKBP1A (0.55) FKBP1AF2PRSS1CTSLCTSK
SCHEMBL1979225 0.88 USP30 (0.50) KDM4EKMT2AUSP30
SCHEMBL1980404 0.84 HSD17B10 (0.53) FKBP1AF2PRSS1KMT2APIN1
SCHEMBL1979688 0.80 STS (0.60) KDM4EKMT2A
SCHEMBL7207593 0.79 FKBP1A (0.48) FKBP1AF2CTSLCTSKCTRB1
SCHEMBL13938176 0.79 STS (0.56) KDM4EKMT2A

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