SCHEMBL8200023

SCHEMBL8200023

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.50
▸ TSHR P16473 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CYP2C9 P11712 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL7691906 0.89 PTGDR2 (0.50) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL8347702 0.89 MRGPRX4 (0.50) TSHRSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL7788740 0.87 TSHR (0.56) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL8197488 0.86 TSHR (0.48) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL8592978 0.85 SMN1; SMN2 (0.54) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL28334171 0.85 SMN1; SMN2 (0.52) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL27486882 0.84 TSHR (0.49) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL7784387 0.84 SMN1; SMN2 (0.51) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL13794084 0.84 KDM4E (0.51) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL7537186 0.83 PTGDR2 (0.50) PTGDR2TSHRSMN1; SMN2CYP2C9LMNA

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-6054621-A FOR CONTROLLING PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 — — US disclosed
CN-1196719-A Alkoxyacrylic thiol esters as fungicides BAYER AG (DE) 1998-10-21 — — CN disclosed
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