SCHEMBL7994941

SCHEMBL7994941

CC1(C)OC(C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 1.00
CYP3A4 P08684 2/20 1.00
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP2C19 P33261 3/20 0.50
LMNA P02545 3/20 0.40
CYP2D6 P10635 2/20 0.40
HRH1 P35367 2/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CHRM3 P20309 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
APOBEC3A P31941 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
SCHEMBL7916942 1.00 MAPK1 (1.00) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL2504692 1.00 MAPK1 (1.00) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL4383952 1.00 MAPK1 (1.00) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL2534650 1.00 MAPK1 (1.00) MAPK1CYP3A4MEN1KMT2ACYP2C19
Phosphoric Acid SCHEMBL27782171 0.91 MAPK1 (0.83) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL20702246 0.89 MAPK1 (0.80) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL19139099 0.89 CYP3A4 (0.79) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL3918350 0.89 CYP3A4 (0.79) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL16309629 0.87 CYP3A4 (0.77) MAPK1CYP3A4MEN1KMT2ACYP2C19
SCHEMBL8538968 0.82 MAPK1 (0.70) MAPK1CYP3A4MEN1KMT2ACYP2C19

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-6025503-A REACTING OPTICALLY ACTIVE(OR RACEMIC) TITANIUM ALKOXIDE COMPLEXES WITH CHIRAL ACTIVATORS(ESPECIALLY DIOLS) YIELDS NEW TITANIUM COMPLEXES WHICH ARE ENANTIO-SELECTIVE IN C-C BOND FORMING REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-02-15 US disclosed