SCHEMBL8106481

SCHEMBL8106481

CCC(CC)(NC(=O)C(C)c1ccc(Cl)cc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.42
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL7964623 0.86 GPR88 (0.50) CXCR1CXCR2KMT2ACNR2MEN1
SCHEMBL8100402 0.84 FFAR2 (0.43) FFAR2CXCR1CXCR2L3MBTL1HDAC4
SCHEMBL7638122 0.80 FFAR2 (0.42) FFAR2CXCR1CXCR2L3MBTL1HDAC4
SCHEMBL7960771 0.74 GPR88 (0.53) CXCR2KMT2ATSHRCNR2MEN1
SCHEMBL27387574 0.74 HPGD (0.47) L3MBTL1KMT2ATSHRCNR2MEN1
SCHEMBL8654752 0.74 ALDH1A1 (0.41) L3MBTL1KMT2ACNR2MEN1ALDH1A1
SCHEMBL19707849 0.74 KMT2A (0.43) L3MBTL1KMT2ATSHRMEN1ALDH1A1
SCHEMBL28622615 0.73 CXCR1 (0.64) FFAR2CXCR1CXCR2L3MBTL1HDAC4
SCHEMBL6195873 0.73 TSHR (0.59) FFAR2HDAC4HDAC7HDAC5TRPV1
SCHEMBL6483832 0.73 LMNA (0.42) L3MBTL1KMT2ATSHRCNR2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078586-C Phenylalkanamide derivatives and agrohor-ticultural bactericides KUMIAI CHEMICAL INDUSTRY CO (JP) 2002-01-30 CN disclosed
US-6075055-A EXCELLENT FUNGICIDAL ACTIVITIES WITH REGARD TO RICE BLAST AND THE LIKE, WHILE AT THE SAME TIME DO NOT HINDER DESIRABLE PLANT GROWTH KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-13 US disclosed
EP-0854134-B1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KUMAII CHEMICAL INDUSTRY CO LT (JP) 2000-04-26 EP disclosed
CN-1192728-A Phenylalkanamide derivatives and agricultural or horticultural fungicides KUMIAI CHEMICAL INDUSTRY CO (JP) 1998-09-09 CN disclosed
EP-0854134-A1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-07-22 EP disclosed