SCHEMBL12840944

SCHEMBL12840944

CCC12CC[C@@H](CC1=O)C2(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
F2 P00734 2/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA5A P35218 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL17779170 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6126355 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL20254178 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL107676 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL411430 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL15492870 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL27669444 0.86 KMT2A (0.61) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL15681900 0.85 KMT2A (0.56) KMT2AALDH1A1MEN1LMNAMAPT
Benzidine SCHEMBL29172643 0.85 KMT2A (0.47) KMT2AALDH1A1MEN1LMNAF2
SCHEMBL13761872 0.83 KMT2A (0.58) KMT2AALDH1A1MEN1LMNAMAPT

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-2292596-A2 CETP activity inhibitor Japan Tobacco, Inc. (JP) 2011-03-09 EP disclosed