SCHEMBL12434732

SCHEMBL12434732

O[C@@H](CN1CCCC1)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SLC6A9 P48067 2/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 4/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ABCB1 P08183 1/20 0.44
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7193788 1.00 L3MBTL1 (0.56) L3MBTL1SLC6A9TSHRPOLBKDM4E
SCHEMBL11287435 0.79 MTNR1A (0.56) L3MBTL1POLBKDM4EGAALMNA
SCHEMBL12434734 0.77 SLC6A9 (0.50) L3MBTL1SLC6A9TSHRPOLBKDM4E
SCHEMBL12434733 0.77 SLC6A9 (0.44) L3MBTL1SLC6A9POLBKDM4EMAPT
SCHEMBL27498873 0.77 TSHR (0.51) TSHRALDH1A1GAACYP1A2CYP2C19
SCHEMBL7187375 0.76 L3MBTL1 (0.51) L3MBTL1POLBALDH1A1CYP2C19
SCHEMBL2608087 0.76 SLC6A9 (0.41) L3MBTL1SLC6A9TSHRPOLBKDM4E
SCHEMBL12074443 0.75 L3MBTL1 (0.54) L3MBTL1TSHRPOLBKDM4EALDH1A1
SCHEMBL9625233 0.75 L3MBTL1 (0.54) L3MBTL1TSHRPOLBKDM4EALDH1A1
SCHEMBL9366370 0.75 ADRB2 (0.55) KDM4EMAPTALDH1A1CYP1A2CYP2C19

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
EP-2353714-A1 ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2011-08-10 EP disclosed