SCHEMBL2481407

SCHEMBL2481407

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
HSD17B10 Q99714 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
SCHEMBL2481406 1.00 KMT2A (0.49) KMT2AMEN1HTTLMNAUSP2
SCHEMBL2481404 1.00 KMT2A (0.49) KMT2AMEN1HTTLMNAUSP2
SCHEMBL12497665 0.83 MEN1 (0.54) KMT2AMEN1HTTLMNAUSP2
SCHEMBL19900669 0.79 SLC6A3 (0.38) KMT2AMEN1HTTLMNAHPGD
SCHEMBL3070892 0.78
SCHEMBL3068352 0.78
SCHEMBL3070889 0.78
SCHEMBL3062278 0.78
SCHEMBL3068358 0.78
SCHEMBL3867748 0.76 CHRM2 (0.31) KMT2AMEN1HTT

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 9 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
EP-2013337-A2 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2009-01-14 EP disclosed
WO-2007128496-A2 A GROUP OF ESTERASES FOR THE ENANTIOSELECTIVE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2007-11-15 WO disclosed