SCHEMBL2482835

SCHEMBL2482835

C[C@@H](C(=O)O)[C@@H]1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A3 Q01959 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2482828 1.00 RAB9A (0.43) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL2482831 1.00 RAB9A (0.43) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL17074314 0.94 SLC6A3 (0.45) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL536802 0.81 HPGD (0.39) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL18281723 0.80 HPGD (0.40) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL17870819 0.80 HPGD (0.40) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL11851506 0.78 MEN1 (0.41) RAB9AHPGDL3MBTL1GAAPOLB
Acetic Acid SCHEMBL7279012 0.78 RAB9A (0.39) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL4411156 0.77 SMN1; SMN2 (0.42) RAB9AHPGDL3MBTL1GAAPOLB
SCHEMBL4357915 0.77 KMT2A (0.40) RAB9AHPGDL3MBTL1GAAPOLB

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-2385109-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
EP-2377930-B1 A group of esterases for the enantioselective production of fine and speciality chemicals BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2015-12-02 EP disclosed
US-9193961-B2 Polynucleotides encoding enantioselective carboxylesterases and methods of making same B.R.A.I.N. AG (DE) 2015-11-24 US disclosed
EP-2013337-B1 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2013-03-27 EP disclosed
EP-2385109-A2 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-11-09 EP disclosed
EP-2377930-A1 A group of esterases for the enantioselective production of fine and speciality chemicals B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2011-10-19 EP disclosed
US-20090311745-A1 GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N AG (DE) 2009-12-17 US disclosed