SCHEMBL7108135

SCHEMBL7108135

O=C(OC(=O)c1ncccc1Cl)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 2/20 0.48
MITF O75030 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GRM4 Q14833 2/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AGTR1 P30556 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL7108131 0.88 CASP3 (0.43) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL1228223 0.83 CES2 (0.64) ALDH1A1L3MBTL1THRBNPC1RAB9A
SCHEMBL31633615 0.83 CES2 (0.64) ALDH1A1L3MBTL1THRBNPC1RAB9A
SCHEMBL27999275 0.76 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL15988827 0.75 CTNNB1 (0.54) ALDH1A1L3MBTL1THRBCES2CES1
SCHEMBL11829134 0.75 SMN1; SMN2 (0.64) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL287063 0.75 L3MBTL1 (0.60) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL31390431 0.75 CES2 (0.53) ALDH1A1L3MBTL1THRBSMN1; SMN2NPC1
SCHEMBL28274818 0.75 CTNNB1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL27454868 0.75 KMT2A (0.61) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792936-B1 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol MITSUBISHI CHEM CORP (JP) 2003-01-29 EP disclosed
US-5841001-A ALLOWING 2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL TO CONTACT ENZYME STEREOSELECTIVELY CATALYZING ESTER INTERCHANGE IN PRESENCE OF CARBOXYLIC ANHYDRIDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-24 US disclosed
EP-0792936-A2 Process for the preparation of optically active 2-halo-1-(substituted phenyl) ethanol Mitsubishi Chemical Corporation (JP) 1997-09-03 EP disclosed