SCHEMBL18745320

SCHEMBL18745320

CC(SS)C(=O)NC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.50
POLB P06746 1/20 0.46
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SMYD3 Q9H7B4 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR4 Q13639 3/20 0.37
EPHX2 P34913 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 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
SCHEMBL255421 0.80 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL28895020 0.78 EPHX1 (0.57) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL1802727 0.77 EPHX1 (0.55) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL11007528 0.75 EPHX1 (0.53) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL21730427 0.74 EPHX1 (0.52) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL19716609 0.72 EPHX1 (0.50) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL22233273 0.72 EPHX1 (0.50) EPHX1POLBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL11627259 0.72 EPHX1 (0.50) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL7449252 0.72 EPHX1 (0.49) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL19086797 0.72 EPHX1 (0.59) EPHX1POLBGNAI3GNAO1GNAI1

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
US-9623014-B2 β-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2017-04-18 US disclosed