SCHEMBL27979482

SCHEMBL27979482

CC(=O)C1(C)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 4/20 0.51
GAA P10253 1/20 0.49
CYP2D6 P10635 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ELANE P08246 1/20 0.44
BRD4 O60885 3/20 0.43
CYP3A4 P08684 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL27979486 0.84 AMPD2 (0.51) AMPD2GAACYP2D6TSHRMEN1
SCHEMBL27979606 0.81 GAA (0.45) AMPD2GAACYP2D6TSHRMEN1
SCHEMBL27979776 0.78 AMPD2 (0.43) AMPD2GAACYP2D6TSHRMEN1
SCHEMBL17700194 0.77 GAA (0.53) AMPD2GAATSHRMEN1KMT2A
SCHEMBL26828426 0.74 CHRM1 (0.53) AMPD2CYP2D6TSHRMEN1KMT2A
SCHEMBL14828739 0.74 TSHR (0.51) AMPD2GAACYP2D6TSHRKMT2A
SCHEMBL15665132 0.73 CYP2D6 (0.46) GAACYP2D6TSHRMEN1KMT2A
SCHEMBL27952439 0.73 CYP2D6 (0.46) GAACYP2D6TSHRMEN1KMT2A
SCHEMBL15923278 0.73 CYP2D6 (0.46) GAACYP2D6TSHRMEN1KMT2A
SCHEMBL3396327 0.72 CYP2D6 (0.45) AMPD2CYP2D6TSHRMEN1KMT2A

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
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed