SCHEMBL21780446

SCHEMBL21780446

OCC[C@H](O)COCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.66
CA2 P00918 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
AGER Q15109 1/20 0.48
TACR1 P25103 2/20 0.46
CA4 P22748 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL20432563 1.00 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL23581682 0.91 CA1 (0.56) CA1CA2CA7CA9MAPK1
SCHEMBL6279107 0.91 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL7153591 0.90 CA1 (0.76) CA1CA2CA7CA9MAPK1
SCHEMBL11345220 0.89 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL20893255 0.88 CA1 (0.53) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.86 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL9188557 0.85 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL9187215 0.85 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL9187202 0.85 CA1 (0.66) CA1CA2CA7CA9MAPK1

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-3851436-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2021-07-21 EP disclosed
EP-3354670-B1 STRETCHABLE FILM AND METHOD FOR FORMING THE STRETCHABLE FILM SHINETSU CHEMICAL CO (JP) 2020-03-04 EP disclosed