SCHEMBL9746366

SCHEMBL9746366

C[Sn](C)(O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA4 P22748 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GLA P06280 1/20 0.35
CA3 P07451 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL9745777 0.81 TSHR (0.35) TSHRTDP1CA4CA14CA12
SCHEMBL27752723 0.77 TSHR (0.33) TSHRTDP1CA4CA14CA12
SCHEMBL444720 0.73 TSHR (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL10781916 0.73 CA4 (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL11330453 0.73 BBOX1 (0.40) TSHRTDP1CA4CA14CA12
SCHEMBL1026637 0.73 TSHR (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL28829375 0.73 TSHR (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL70052 0.73 CA4 (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL352235 0.73 TSHR (0.39) TSHRTDP1CA4CA14CA12
SCHEMBL9746969 0.73 TP53 (0.36) TSHRGLALMNAALDH1A1CES2

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
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed
US-4975328-A Adding a phosphoric acid release agent to the monomer mixture used in casting a polythiourethane HOYA CORPORATION (JP) 1990-12-04 US disclosed