SCHEMBL6930625

SCHEMBL6930625

OC[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
TSHR P16473 1/20 0.48
TACR1 P25103 2/20 0.45
SLC1A1 P43005 3/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL15366358 0.89 TSHR (0.48) CA1CA2CA7CA9TSHR
SCHEMBL5694054 0.86 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL14747305 0.86 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL13841805 0.86 CA1 (0.51) CA1CA2CA7CA9TSHR
SCHEMBL5742123 0.84 CA1 (0.56) CA1CA2CA7CA9TSHR
SCHEMBL18591521 0.83 MAPT (0.41) CA1CA2CA7CA9TSHR
SCHEMBL14372163 0.82 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL9838648 0.82 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL6549684 0.82 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL19390430 0.82 CA1 (0.47) CA1CA2CA7CA9TSHR

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
EP-0787739-B1 Anti-adhesive piperidine and pyrollidine -carboxylic acids GLYCOREX AB (SE) 2003-01-29 EP disclosed
US-5739300-A Antiadhesive piperidine-and pyrrolidinecarboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
EP-0787739-A1 Anti-adhesive piperidine and pyrollidine -carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 EP disclosed