SCHEMBL2447894

SCHEMBL2447894

CC(C)(C)N(C(=O)O)[C@H](CO)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.45
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CTSS P25774 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
FOLH1 Q04609 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
SCHEMBL15284485 0.89 MAOB (0.53) SLC1A1MAOBCA1PPARAALDH1A1
SCHEMBL1050077 0.86 SLC1A1 (0.41) SLC1A1MAOBCA1PPARAALDH1A1
SCHEMBL19357526 0.81 LMNA (0.45) PPARASMN1; SMN2ALOX15PRKCAPRKCD
SCHEMBL4064873 0.81 ALPI (0.43) ALDH1A1CYP3A4TSHRPOLBFOLH1
SCHEMBL5066181 0.81 ALPI (0.43) ALDH1A1CYP3A4TSHRPOLBFOLH1
SCHEMBL18344466 0.81 ALPI (0.43) ALDH1A1CYP3A4TSHRPOLBFOLH1
SCHEMBL19517671 0.81 NR1H2 (0.47) SLC1A1MAOBCA1PPARAALDH1A1
SCHEMBL19517669 0.81 NR1H2 (0.47) SLC1A1MAOBCA1PPARAALDH1A1
SCHEMBL2207393 0.78 CTSS (0.46) SLC1A1CA1PPARAALDH1A1CA2
SCHEMBL5065706 0.78 KMT2A (0.47) ALDH1A1SMN1; SMN2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026273-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-09-27 US disclosed