SCHEMBL8197491

SCHEMBL8197491

Cc1ccc(C)c(OCc2ccccc2CC(O)=S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP2C9 P11712 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ SLCO1B3 Q9NPD5 1/20 0.41

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
SCHEMBL8592978 0.86 SMN1; SMN2 (0.54) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7788740 0.86 TSHR (0.56) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL8197488 0.82 TSHR (0.48) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7691906 0.82 PTGDR2 (0.50) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL8200023 0.82 PTGDR2 (0.50) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13794084 0.82 KDM4E (0.51) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL28334171 0.81 SMN1; SMN2 (0.52) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL27814043 0.80 SMN1; SMN2 (0.51) PTGDR2TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL7784387 0.80 SMN1; SMN2 (0.51) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL27486882 0.80 TSHR (0.49) PTGDR2TSHRSMN1; SMN2NPC1RAB9A

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-6054621-A FOR CONTROLLING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 — — US disclosed
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