SCHEMBL17525899

SCHEMBL17525899

C[C@H](CO)OCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TRPA1 O75762 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
VCP P55072 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TACR1 P25103 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2304714 1.00 TSHR (0.48) TSHRTRPA1CA1CA2CA7
SCHEMBL3813606 0.85 TRPA1 (0.48) TSHRTRPA1KMT2AALDH1A1HTT
SCHEMBL647500 0.85 TRPA1 (0.48) TSHRTRPA1KMT2AALDH1A1HTT
SCHEMBL647501 0.85 TRPA1 (0.48) TSHRTRPA1KMT2AALDH1A1HTT
SCHEMBL3510081 0.84 TSHR (0.47) TSHRTRPA1CA1CA2CA7
SCHEMBL24004136 0.84 TSHR (0.50) TSHRTRPA1CA1CA2CA7
SCHEMBL27129558 0.83 TSHR (0.45) TSHRTRPA1CA1CA2CA7
SCHEMBL27032236 0.83 TSHR (0.45) TSHRTRPA1CA1CA2CA7
SCHEMBL27032017 0.83 TSHR (0.45) TSHRTRPA1CA1CA2CA7
SCHEMBL13641899 0.81 TSHR (0.56) TSHRCA1CA2CA7CA9

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
WO-2016025363-A1 BRYOSTATIN ANALOGS AND USE THEREOF AS ANTIVIRAL AGENTS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-02-18 WO disclosed