SCHEMBL27403177

SCHEMBL27403177

Cc1ccc(C)c(OCc2ccccc2C(C)(C(N)=O)C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARA Q07869 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42

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 0.79 CYP2C9 (0.47) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12894351 0.79 SMN1; SMN2 (0.46) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18241048 0.79 CYP2C9 (0.54) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
Propionic Acid SCHEMBL28830277 0.78 CYP2C9 (0.44) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28038435 0.78 CYP2C9 (0.45) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7691906 0.78 PTGDR2 (0.50) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27434536 0.77 CYP2C9 (0.52) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28038046 0.77 ALDH1A1 (0.43) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28103362 0.76 ALDH1A1 (0.46) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15823194 0.76 ALDH1A1 (0.46) CYP2C9ALDH1A1MEN1KMT2ASMN1; SMN2

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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