SCHEMBL23903302

SCHEMBL23903302

CC(C)CCNC(=O)Cc1ccccc1CC(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
KCNA5 P22460 7/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NAMPT P43490 1/20 0.46
HTT P42858 1/20 0.46
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
CNR1 P21554 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
SCHEMBL22170167 0.81 TAAR1 (0.67) POLBCYP2C19HPGDNPC1RAB9A
SCHEMBL10789439 0.79 CNR1 (0.71) POLBCYP2C19L3MBTL1LMNAPKM
SCHEMBL23903309 0.76 LMNA (0.52) POLBCYP2C19L3MBTL1LMNAPKM
SCHEMBL26724889 0.74 GABRA1 (0.50) POLBL3MBTL1LMNA
SCHEMBL3808149 0.74 AKR1B1 (0.55)
SCHEMBL10125651 0.74 HPGD (0.66) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL19688866 0.73 GABRA1 (0.46) POLBL3MBTL1LMNAKCNA5HPGD
SCHEMBL9635048 0.73 ALDH1A1 (0.47) CYP2C19L3MBTL1LMNAHPGDSMN1; SMN2
SCHEMBL15434628 0.73 MTNR1A (0.49) HPGDNPC1HTT
Bicarbonate SCHEMBL27568192 0.73 GABRA1 (0.58) L3MBTL1LMNANPC1RAB9A

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-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 WO disclosed