SCHEMBL27435640

SCHEMBL27435640

CC(=O)OCC(=O)c1ccccc1COC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
TNF P01375 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35

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
SCHEMBL4322060 0.83 MEN1 (0.50) CREBBPEP300MEN1KMT2ASLC6A3
SCHEMBL7452571 0.81 ICAM1 (0.44) CREBBPEP300MEN1KMT2ARAB9A
SCHEMBL7975649 0.80 MEN1 (0.44) CREBBPEP300MEN1KMT2AKDM4E
SCHEMBL7959257 0.80 KDM4E (0.40) CREBBPEP300MEN1KMT2ATDP1
SCHEMBL7972936 0.78 CREBBP (0.41) CREBBPEP300MEN1KMT2ALMNA
SCHEMBL10007917 0.78 ICAM1 (0.45) CREBBPEP300MEN1KMT2ARAB9A
SCHEMBL18355699 0.75 TACR1 (0.46) CREBBPEP300MEN1KMT2ARAB9A
SCHEMBL17909890 0.74 KDM4C (0.38) CREBBPEP300MEN1KMT2ATDP1
SCHEMBL5107704 0.73 KDM4C (0.43) CREBBPEP300MEN1KMT2ARAB9A
SCHEMBL13787407 0.73 KDM4C (0.43) CREBBPEP300MEN1KMT2ARAB9A

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