SCHEMBL9512449

SCHEMBL9512449

O=C(O)C(O)CC1=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.40
KDM6B O15054 1/20 0.40
EPHX1 P07099 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9512439 1.00 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL7954116 0.94 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL7954123 0.94 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL27277479 0.84 SMN1; SMN2 (0.43) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL1342487 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL6255381 0.80 GRIA1 (0.48) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL4757741 0.80 GRIA1 (0.48) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL9185688 0.80 KMT2A (0.47) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL5298700 0.79 GRIA1 (0.47) ALDH1A1MAPTL3MBTL1NPSR1TAAR1
SCHEMBL2415799 0.79 KMT2A (0.46) ALDH1A1MAPTL3MBTL1NPSR1TAAR1

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-0353053-B1 Catalytic process for producing optically active alpha-hydroxycarboxylates TAKASAGO PERFUMERY CO LTD (JP) 1993-10-20 EP disclosed
US-4965398-A Process for producing optically active alpha-hydroxycarboxylates TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-23 US disclosed
EP-0353053-A2 Catalytic process for producing optically active alpha-hydroxycarboxylates Takasago International Corporation (JP) 1990-01-31 EP disclosed