SCHEMBL24376776

SCHEMBL24376776

CCCCCCCNC(=O)C(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.68
CASP2 P42575 1/20 0.55
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
NAAA Q02083 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.49
FAAH O00519 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
SCHEMBL5438759 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL17694454 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL21738174 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL13701713 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL5439873 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL19478069 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL26312872 1.00 EPHX1 (0.68) EPHX1CASP2ZDHHC20ZDHHC2NAAA
SCHEMBL6840451 0.98 EPHX1 (0.64) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Sulfuric Acid SCHEMBL27634420 0.94 EPHX1 (0.61) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Sulfuric Acid SCHEMBL27634416 0.94 EPHX1 (0.61) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed