SCHEMBL16797440

SCHEMBL16797440

CCOc1ccccc1OC(=O)c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.74
HSD17B10 Q99714 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 4/20 0.54
KCNH2 Q12809 1/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
FPR1 P21462 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL27906644 0.83 KMT2A (0.63) KMT2AHSD17B10ALDH1A1TSHRPOLB
SCHEMBL16797441 0.79 RAB9A (0.65) KMT2AHSD17B10SMN1; SMN2ALDH1A1TSHR
SCHEMBL31321696 0.78 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL10892540 0.77 KMT2A (0.56) KMT2AHSD17B10SMN1; SMN2ALDH1A1HTT
SCHEMBL31321700 0.77 L3MBTL1 (0.61) KMT2AHSD17B10SMN1; SMN2ALDH1A1POLB
SCHEMBL859237 0.76 NPC1 (0.61) KMT2AHSD17B10SMN1; SMN2ALDH1A1TSHR
SCHEMBL7701028 0.76 KMT2A (1.00) KMT2AHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2380676 0.76 L3MBTL1 (0.63) KMT2AALDH1A1POLBKDM4EGAA
SCHEMBL28204092 0.75 NPC1 (0.60) KMT2AHSD17B10SMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27676954 0.75 NPC1 (0.60) KMT2AHSD17B10SMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079680-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS Angiogenex, Inc. (US) 2016-10-19 EP disclosed
WO-2015089495-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS ANGIOGENEX, INC. (US) 2015-06-18 WO disclosed