SCHEMBL14592012

SCHEMBL14592012

C=C(C)[C@@]1(C)Cc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL5620282 1.00 LMNA (0.37) LMNAPOLBL3MBTL1TSHRCYP2D6
SCHEMBL5620287 1.00 LMNA (0.37) LMNAPOLBL3MBTL1TSHRCYP2D6
SCHEMBL3520901 0.79 POLB (0.47) LMNAPOLBL3MBTL1TSHRSMN1; SMN2
SCHEMBL3519499 0.75 POLB (0.50) LMNAPOLBL3MBTL1TSHRKMT2A
SCHEMBL10382409 0.73 CYP2C19 (0.39) LMNAPOLBL3MBTL1TSHRCYP2D6
SCHEMBL1441712 0.72 PKM (0.41) LMNATSHRCYP2D6CYP2C19KMT2A
Acetic Acid SCHEMBL28604975 0.71 LMNA (0.42) LMNAPOLBL3MBTL1PKMKDM4E
SCHEMBL30726842 0.71 BRD4 (0.49) LMNAPOLBL3MBTL1TSHRCYP2C19
SCHEMBL29216361 0.71 LMNA (0.33) LMNAPOLBL3MBTL1TSHRCYP2D6
SCHEMBL23811463 0.69 CYP2D6 (0.39) LMNATSHRCYP2D6CYP2C19KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166754-B2 Methods and compositions for enantioselective oxidation reactions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed
US-7166754-B2 Methods and compositions for enantioselective oxidation reactions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-01-23 US disclosed