SCHEMBL1979768

SCHEMBL1979768

CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCCCC1C(=O)NC(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.52
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
CTRB1 P17538 1/20 0.47
CTSL P07711 1/20 0.47
CTSK P43235 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIN1 Q13526 2/20 0.46
NPC1 O15118 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
SCHEMBL1979169 0.96 FKBP1A (0.55) FKBP1AF2PRSS1CTRB1CTSL
SCHEMBL1980404 0.90 HSD17B10 (0.53) FKBP1AF2PRSS1MEN1KMT2A
SCHEMBL13938196 0.90 FKBP1A (0.49) FKBP1AF2PRSS1CTRB1CTSL
SCHEMBL1986802 0.88 FKBP1A (0.48) FKBP1AF2PRSS1CTSLCTSK
SCHEMBL13938201 0.88 FKBP1A (0.48) FKBP1AF2PRSS1CTRB1CTSL
SCHEMBL23565690 0.82 FKBP1A (0.64) FKBP1A
SCHEMBL14130791 0.81 CTRB1 (0.53) FKBP1ACTRB1MEN1KMT2A
SCHEMBL7228304 0.81 FKBP1A (0.77) FKBP1APIN1
SCHEMBL1978322 0.80 FKBP1A (0.47) FKBP1AF2CTRB1CTSLCTSK
SCHEMBL7207593 0.79 FKBP1A (0.48) FKBP1AF2CTRB1CTSLCTSK

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-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed