SCHEMBL28847252

SCHEMBL28847252

N#CCc1cccc(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CA1 P00915 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PNMT P11086 2/20 0.38
ALOX12 P18054 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 2/20 0.36
MMP3 P08254 1/20 0.36
TSHR P16473 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
SCHEMBL310847 0.79 PNMT (0.56) GRIA1CACNG8ALDH1A1HPGDPNMT
SCHEMBL29763190 0.79 PNMT (0.56) GRIA1CACNG8ALDH1A1HPGDPNMT
SCHEMBL28909080 0.79 ALDH1A1 (0.46) CA1ALDH1A1HPGDALOX12CYP3A4
SCHEMBL1020369 0.79 IDO1 (0.50) GRIA1CACNG8ALDH1A1HPGDPNMT
SCHEMBL1294116 0.78 GRIA1 (0.43) GRIA1CACNG8ALDH1A1HPGDPNMT
Hydrochloric Acid SCHEMBL7824228 0.77 IDO1 (0.48) GRIA1CACNG8ALDH1A1HPGDPNMT
Methane SCHEMBL4744157 0.77 IDO1 (0.48) GRIA1CACNG8ALDH1A1HPGDPNMT
SCHEMBL9751984 0.76 HSP90AA1 (0.74) HSP90AA1CA1ACHEALDH1A1PNMT
SCHEMBL8660405 0.76 ALDH1A1 (0.44) GRIA1CACNG8ALDH1A1HPGDPNMT
SCHEMBL3072494 0.76 ALDH1A1 (0.50) CA1ALDH1A1HPGDMMP3TSHR

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-109912439-B Method for continuously and rapidly preparing DL-phenylglycine and analogue thereof by using cyanohydrin method 天宝动物营养科技股份有限公司 2022-09-23 CN disclosed
CN-109824531-B Method for continuously and rapidly preparing DL-phenylglycine and analogues thereof 天宝动物营养科技股份有限公司 2022-08-23 CN disclosed