SCHEMBL9737720

SCHEMBL9737720

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(OC2CCC(=O)C2)C1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKR1B1 P15121 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCC9 O60706 2/20 0.32
HSP90AA1 P07900 1/20 0.32
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1C Q13936 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL9736155 0.86 XIAP (0.32) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9737251 0.83 HSD17B10 (0.34) MAPTLMNASMN1; SMN2ALDH1A1ABCC9
SCHEMBL9737038 0.82 AKR1B1 (0.33) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL9737706 0.78 TLR3 (0.35) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL7965091 0.76 TLR3 (0.40) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL9736573 0.75 MAPT (0.36) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL9737011 0.74 PNMT (0.34) MAPTSMN1; SMN2DRD2HTR2AALDH1A1
SCHEMBL9735568 0.74 MAPT (0.35) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL9735535 0.74 KMT2A (0.36) TLR3HTTMAPTLMNASMN1; SMN2
SCHEMBL9734741 0.72 ABCC9 (0.52) TLR3HTTMAPTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed