SCHEMBL9487527

SCHEMBL9487527

Cc1ccc(C)c(Sc2c(C)c(C)cc(C)c2C)c1C

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 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
SCHEMBL9486176 0.87 CYP3A4 (0.32) TSHR
SCHEMBL9487225 0.80 TRPA1 (0.42) CYP1A2CYP2A6TSHR
SCHEMBL9486776 0.76 MEN1 (0.32)
SCHEMBL13386073 0.75 AR (0.35)
SCHEMBL9487108 0.75 TUBB4A (0.33)
SCHEMBL9488055 0.73 MAPT (0.42) CYP1A2CYP2A6HSP90AA1
SCHEMBL9194581 0.73 TDP2 (0.40) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL4078654 0.72 TSHR (0.38) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL9486952 0.71 POLB (0.40)
SCHEMBL9488094 0.71 ALDH1A1 (0.39) CYP1A2CYP2A6TSHR

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-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed