SCHEMBL7959271

SCHEMBL7959271

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL27536529 0.91 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL1688319 0.91 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL570955 0.88 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7970653 0.87 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2PTGDR2
SCHEMBL7972530 0.86 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7970641 0.86 PTGDR2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15823194 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15375329 0.85 PTGDR2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL23628935 0.83 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12317825 0.82 TSHR (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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 7 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
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