SCHEMBL8947304

SCHEMBL8947304

CCCCc1ccc(C(=O)NCC(=O)OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.62
CA2 P00918 1/20 0.58
TRPV1 Q8NER1 2/20 0.55
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RARB P10826 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
GAA P10253 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
SCHEMBL15174084 0.94 PLK1 (0.55) PLK1CA2TRPV1MEN1KMT2A
SCHEMBL8947232 0.94 PLK1 (0.55) PLK1CA2TRPV1MEN1KMT2A
SCHEMBL8947346 0.84 ALDH1A1 (0.58) PLK1KDM4EMEN1KMT2ATSHR
SCHEMBL8947242 0.83 KMT2A (0.67) KDM4EMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10949157 0.82 PLK1 (0.72) PLK1TRPV1KDM4EMEN1KMT2A
SCHEMBL7931204 0.82 PLK1 (0.55) PLK1MEN1KMT2ANPC1RAB9A
SCHEMBL8947350 0.82 MMP1 (0.72) PLK1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL10948379 0.81 PLK1 (0.70) PLK1TRPV1KDM4EMEN1KMT2A
SCHEMBL10949132 0.81 PLK1 (0.70) PLK1TRPV1MEN1KMT2ATSHR
SCHEMBL16982003 0.81 KMT2A (0.50) KDM4EMEN1KMT2ATSHRSMN1; 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