SCHEMBL7970653

SCHEMBL7970653

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
LPAR1 Q92633 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7972490 0.90 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972530 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7959271 0.87 ALDH1A1 (0.44) SMN1; SMN2LMNAHTTALDH1A1PTGDR2
SCHEMBL3497245 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7970641 0.85 PTGDR2 (0.41) SMN1; SMN2LMNAHTTALDH1A1PTGDR2
SCHEMBL7972543 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7959258 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7972487 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL7959326 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTLPAR1ALDH1A1
SCHEMBL29047063 0.81 TSHR (0.47) SMN1; SMN2LMNAHTTLPAR1ALDH1A1

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