SCHEMBL1744124

SCHEMBL1744124

CC(=O)c1ccc(Oc2ccccc2)cc1.C[C@H](N)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
SRD5A2 P31213 3/20 0.54
PARP10 Q53GL7 1/20 0.53
ACACB O00763 3/20 0.51
ACACA Q13085 3/20 0.51
MAOB P27338 1/20 0.46
PTGS1 P23219 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL167640 0.85 RAB9A (0.83) MAPTHPGDRAB9ASRD5A2PARP10
SCHEMBL1744599 0.85 LTA4H (0.52) SRD5A2ACACBACACAPTGS1
SCHEMBL506349 0.85 LTA4H (0.52) SRD5A2ACACBACACAPTGS1
SCHEMBL7598855 0.85 LTA4H (0.52) SRD5A2ACACBACACAPTGS1
Hydrochloric Acid SCHEMBL14831299 0.83 LTA4H (0.50) RAB9ASRD5A2ACACBACACAPTGS1
Hydrochloric Acid SCHEMBL22159302 0.83 LTA4H (0.50) RAB9ASRD5A2ACACBACACAPTGS1
Hydrochloric Acid SCHEMBL11741463 0.83 LTA4H (0.50) RAB9ASRD5A2ACACBACACAPTGS1
SCHEMBL4797264 0.83 ROCK2 (0.50) MAPTHPGDRAB9AALDH1A1SMN1; SMN2
Acetophenone SCHEMBL19028023 0.81 MAPT (0.50) MAPTHPGDPTGS1ALDH1A1SMN1; SMN2
SCHEMBL21935080 0.80 MAPT (0.73) MAPTHPGDRAB9ASRD5A2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385983-A2 TRANSAMINASE POLYPEPTIDES Codexis, Inc. (US) 2011-11-16 EP disclosed
US-D646886-S1 Tip of an umbrella Pro Performance Sports, L.L.C. (US) 2011-10-18 US disclosed