SCHEMBL7970641

SCHEMBL7970641

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7959271 0.86 ALDH1A1 (0.44) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL7970653 0.85 SMN1; SMN2 (0.46) PTGDR2TSHRSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7524479 0.84 SMN1; SMN2 (0.43) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL7972530 0.84 SMN1; SMN2 (0.43) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL12317825 0.80 TSHR (0.43) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL27536529 0.80 ALDH1A1 (0.43) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL1688319 0.79 ALDH1A1 (0.45) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL29047063 0.78 TSHR (0.47) PTGDR2TSHRSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL15402290 0.78 TSHR (0.43) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL570955 0.77 MEN1 (0.45) PTGDR2TSHRSMN1; SMN2ALDH1A1MAPT

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 8 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
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 US 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
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed