SCHEMBL27434536

SCHEMBL27434536

CCC(C)(C(=O)O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TSHR P16473 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ TTR P02766 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLCO1B3 Q9NPD5 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CISD1 Q9NZ45 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL18241048 0.85 CYP2C9 (0.54) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL8195105 0.81 CYP2C9 (0.50) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL28084205 0.81 CYP2C9 (0.47) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL12894351 0.81 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL27940394 0.80 CYP2C9 (0.43) CYP2C9SMN1; SMN2TSHRPPARATTR
Propionic Acid SCHEMBL28830277 0.78 CYP2C9 (0.44) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL27437488 0.78 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL28038435 0.78 CYP2C9 (0.45) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL13794084 0.77 KDM4E (0.51) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL17715753 0.77 SMN1; SMN2 (0.44) CYP2C9SMN1; SMN2TSHRPPARATTR

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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