SCHEMBL8947346

SCHEMBL8947346

CCc1ccc(C(=O)NCC(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
PLK1 P53350 1/20 0.58
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.54
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TAOK1 Q7L7X3 3/20 0.49
TAOK3 Q9H2K8 3/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49

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
SCHEMBL8947242 0.89 KMT2A (0.67) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL10076252 0.87 RAB9A (0.67) ALDH1A1TDP1PLK1KMT2AKDM4E
SCHEMBL13662611 0.85 PTPRC (0.54) ALDH1A1TDP1PLK1KMT2AKDM4E
SCHEMBL8947262 0.85 KMT2A (0.55) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL8947304 0.84 PLK1 (0.62) TDP1PLK1KMT2AKDM4EMEN1
SCHEMBL24224262 0.82 KMT2A (0.59) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL834861 0.82 KMT2A (0.59) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL8283407 0.82 TDP1 (0.71) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL30838576 0.82 KDM4E (0.62) ALDH1A1TDP1KMT2AKDM4EMEN1
SCHEMBL13760121 0.82 KDM4E (0.62) ALDH1A1TDP1PLK1KDM4ESMN1; SMN2

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed