SCHEMBL7912656

SCHEMBL7912656

O=C1CC[C@H]2OCCC[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL6862441 1.00 MAPT (0.36) MAPTALDH1A1LMNAGAANPC1
SCHEMBL23293607 0.89 MAPT (0.39) MAPTALDH1A1LMNAGAANPC1
SCHEMBL8351594 0.86
SCHEMBL14169594 0.83 CA1 (0.37) MAPTALDH1A1LMNAGAANPC1
SCHEMBL10570611 0.75 KMT2A (0.42) MAPTALDH1A1LMNAGAANPC1
SCHEMBL24189214 0.68 CA1 (0.30)
SCHEMBL9973375 0.68
SCHEMBL16802426 0.68 MAPT (0.33) MAPTALDH1A1LMNAGAANPC1
SCHEMBL24799805 0.68 CA1 (0.40) MAPTALDH1A1LMNAGAANPC1
SCHEMBL6722036 0.68 MAPT (0.42) MAPTALDH1A1LMNAGAANPC1

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-6207862-B1 PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, BIOCATALYTICS, INC. 2001-03-27 US disclosed