SCHEMBL27437488

SCHEMBL27437488

COC(=O)C(C)(S)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ PPARA Q07869 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 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
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL28084205 0.80 CYP2C9 (0.47) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL12894351 0.80 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL18241048 0.80 CYP2C9 (0.54) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL7524483 0.80 PPARA (0.44) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL28334171 0.78 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C9TSHRTDP1HTT
SCHEMBL27434536 0.78 CYP2C9 (0.52) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL22372044 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL28038435 0.77 CYP2C9 (0.45) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL17715753 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C9PPARATSHRTDP1
SCHEMBL8195105 0.76 CYP2C9 (0.50) SMN1; SMN2CYP2C9PPARATSHRTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1176918-C Alpha-substituted benzene acetic acid its preparation and farm pesticide containing said compound ��Ұ����ҩ��ʽ���� 2004-11-24 — — CN disclosed
CN-1105703-C Alpha-substituted phenylacetic acid derivatives, their preparation and agricultural fungicides containing the same SHIONOGI & CO (JP) 2003-04-16 — — CN disclosed
CN-1394846-A Alpha-substituted benzene acetic acid its preparation and farm pesticide containing said compound SHIONOGI & CO (JP) 2003-02-05 — — CN disclosed
CN-1145061-A Alpha-substituted phenylacetic acid derivatives, their preparation and agricultural fungicides containing the same SHIONOGI & CO (JP) 1997-03-12 — — CN disclosed
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