SCHEMBL11885877

SCHEMBL11885877

CCOC(=O)C[C@@H](N)c1ccc(OCC)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.40
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 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
SCHEMBL11887289 0.87 RAB9A (0.49) L3MBTL1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL25207618 0.83 APLNR (0.42) GAANPSR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26922770 0.80 PARP10 (0.47) PARP10GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL14480252 0.79 NQO1 (0.42) PARP10ALDH1A1KMT2AMAPTTSHR
SCHEMBL14480364 0.79 NQO1 (0.42) PARP10ALDH1A1KMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL7383075 0.78 PARP10 (0.46) PARP10GAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL1051991 0.77 SMN1; SMN2 (0.55) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL1077616 0.77 SMN1; SMN2 (0.55) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL5742023 0.76 SMN1; SMN2 (0.53) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7321879 0.76 SMN1; SMN2 (0.53) GAAALDH1A1SMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160333381-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-9434968-B2 Transaminase reactions CODEXIS, INC. (US) 2016-09-06 US disclosed
US-20150079640-A1 TRANSAMINASE REACTIONS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-03-19 US disclosed
US-8921079-B2 Transaminase reactions CODEXIS, INC. (US) 2014-12-30 US disclosed
US-20120190085-A1 Transaminase Reactions CODEXIS, INC. (US) 2012-07-26 US disclosed