SCHEMBL11765481

SCHEMBL11765481

CC(S)CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAAA Q02083 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL14763820 0.84 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL155702 0.84 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL11769415 0.81 CA1 (0.50) TSHRCA1CA2CA7CA9
SCHEMBL812240 0.81 TSHR (0.52) TSHRTDP1L3MBTL1CYP2C19TACR1
SCHEMBL14193191 0.81 TSHR (0.52) TSHRTDP1L3MBTL1CYP2C19TACR1
SCHEMBL811581 0.81 TSHR (0.52) TSHRTDP1L3MBTL1CYP2C19TACR1
SCHEMBL2873754 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL4781157 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL20582042 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL5240701 0.81 TSHR (0.52) 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
US-4031304-A Process for preparing lincomycin derivatives THE UPJOHN COMPANY (US) 1977-06-21 US disclosed