SCHEMBL8563381

SCHEMBL8563381

O=C(C[C@H](O)C(=O)O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.62
▸ LMNA P02545 1/20 0.62
▸ SLC1A3 P43003 2/20 0.54
▸ SLC1A2 P43004 2/20 0.54
▸ SLC1A1 P43005 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ EPHX2 P34913 1/20 0.53
▸ MAPT P10636 6/20 0.53
▸ GAA P10253 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ HTT P42858 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49

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
SCHEMBL4747178 0.85 KDM1A (0.54) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL13870224 0.84 SMN1; SMN2 (0.63) HPGDLMNAMAPTGAAALDH1A1
SCHEMBL7494278 0.82 HPGD (0.55) HPGDLMNATSHREPHX2MAPT
SCHEMBL7494284 0.82 HPGD (0.55) HPGDLMNATSHREPHX2MAPT
SCHEMBL5907668 0.81 HPGD (0.67) HPGDLMNATSHREPHX2MAPT
SCHEMBL13778192 0.80 RAB9A (0.51) HPGDLMNAEPHX2MAPTGAA
SCHEMBL8534248 0.79 HPGD (0.56) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL8984826 0.79 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL1771059 0.79 HPGD (0.60) HPGDLMNASLC1A3SLC1A2SLC1A1
SCHEMBL15971325 0.79 SLC1A3 (0.81) HPGDLMNASLC1A3SLC1A2SLC1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490175-B1 Process for the treatment of the cristallization mother liquors of the resolution of 1-(4-chlorophenyl)ethylamine BAYER AG (DE) 1994-09-28 — — EP claimed
US-5144077-A PROCESS FOR WORKING UP THE CRYSTALLIZATION MOTHER LIQUOR FROM THE RESOLUTION OF THE RACEMATE OF 1-(4-CHLOROPHENYL)-ETHYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 — — US claimed
JP-5025100-A — — None — — JP disclosed
US-5773656-A Process for the preparation of optically active 1-aryl-alkylamines BAYER AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
JP-H0525100-A RECOVERY OF RESOLVED RACEMIC 1-(4-CHLOROPHENYL)-ETHYLAMINE CRYSTALS FROM MOTHER LIQUOR BAYER AG 1993-02-02 — — JP disclosed
US-5144077-A PROCESS FOR WORKING UP THE CRYSTALLIZATION MOTHER LIQUOR FROM THE RESOLUTION OF THE RACEMATE OF 1-(4-CHLOROPHENYL)-ETHYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 — — US disclosed
US-5144077-A PROCESS FOR WORKING UP THE CRYSTALLIZATION MOTHER LIQUOR FROM THE RESOLUTION OF THE RACEMATE OF 1-(4-CHLOROPHENYL)-ETHYLAMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 — — US disclosed
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