SCHEMBL27675286

SCHEMBL27675286

C1=CC=CN(Cc2ccccc2)C=C1.O=C(O)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
S1PR1 P21453 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GRM6 O15303 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
SCHEMBL9201461 0.78 SIGMAR1 (0.46) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5016388 0.74 MEN1 (0.67) S1PR5ALDH1A1HPGDCHRM2CHRM3
SCHEMBL1519223 0.72 MEN1 (0.69) S1PR5L3MBTL1S1PR1MEN1TSHR
Hydrochloric Acid SCHEMBL2551741 0.71 MEN1 (0.68) S1PR5L3MBTL1S1PR1MEN1TSHR
SCHEMBL18125935 0.71 ALDH1A1 (0.71) S1PR5L3MBTL1S1PR1ALDH1A1HPGD
SCHEMBL3844177 0.71 ALDH1A1 (0.71) S1PR5L3MBTL1S1PR1ALDH1A1HPGD
Ethylbenzene SCHEMBL27590828 0.70 SMN1; SMN2 (0.53) S1PR5L3MBTL1S1PR1ALDH1A1HPGD
Phenylmethanesulfonic Acid SCHEMBL29785797 0.70 ALDH1A1 (0.49) L3MBTL1LMNAALDH1A1HPGDUSP2
Hydrochloric Acid SCHEMBL30028945 0.70 LMNA (0.62) L3MBTL1LMNAUSP2CHRM2KMT2A
Benzene SCHEMBL27812706 0.70 TSHR (0.50) L3MBTL1LMNAALDH1A1HPGDUSP2

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
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN disclosed
CN-86106702-A The preparation method of azepine-3-cyclobutane-carboxylic acid and salt thereof 1987-04-01 CN disclosed