SCHEMBL5068620

SCHEMBL5068620

COc1cccc(-c2ccccc2)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL16568061 0.87 NCOA1 (0.41) KDM4EALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL4188956 0.83 CYP1A2 (0.51) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL11996562 0.83 HTR7 (0.40) KDM4EALDH1A1LMNAGAACA1
SCHEMBL28423706 0.82 CDC25A (0.44) ALDH1A1MAPTKMT2AMITFHTT
SCHEMBL9814047 0.80 KDM4E (0.53) KDM4EALDH1A1LMNACA1CA2
SCHEMBL27569866 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4061687 0.79 NPC1 (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5068601 0.78 ADORA3 (0.50) KDM4EALDH1A1LMNAGAANPC1
SCHEMBL294721 0.78 ALDH1A1 (0.58) KDM4EALDH1A1LMNAGAACA1
SCHEMBL30136447 0.78 ALDH1A1 (0.58) KDM4EALDH1A1LMNAGAACA1

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
WO-2008099904-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-08-21 WO disclosed