SCHEMBL8564144

SCHEMBL8564144

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
TACR1 P25103 4/20 0.47
TSHR P16473 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 1/20 0.41
SLC1A1 P43005 1/20 0.40

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
SCHEMBL8567729 1.00 KMT2A (0.51) KMT2ACA1CA2CA7CA9
SCHEMBL29347468 0.82 KMT2A (0.47) KMT2ACA1CA2CA7CA9
SCHEMBL9725029 0.81 KMT2A (0.58) KMT2ACA1CA2CA7CA9
SCHEMBL4169644 0.81 KMT2A (0.58) KMT2ACA1CA2CA7CA9
SCHEMBL13595511 0.81 KMT2A (0.58) KMT2ACA1CA2CA7CA9
SCHEMBL93708 0.80 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL4382418 0.80 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL93709 0.80 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL4385964 0.80 CA1 (0.66) KMT2ACA1CA2CA7CA9
SCHEMBL4135904 0.80 CA1 (0.46) KMT2ACA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
WO-1998022437-A1 PROCESS FOR PREPARATION OF CHIRAL 3-AMINOPYRROLIDINE AND ANALOGOUS BICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 1998-05-28 WO disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 US disclosed