SCHEMBL7697841

SCHEMBL7697841

CCCC(CC(=O)c1ccc2c3c(oc2c1)CCCC3)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 8/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 6/20 0.38
TSHR P16473 4/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
NFKB1 P19838 3/20 0.38
KMT2A Q03164 5/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STING1 Q86WV6 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL7431009 0.86 NFKB1 (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7488775 0.85 NFKB1 (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7429305 0.85 NFKB1 (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7426587 0.85 NFKB1 (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7429273 0.84 MMP1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7427294 0.84 KMO (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7424384 0.84 KMO (0.41) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7431796 0.83 NFKB1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7430672 0.83 MMP1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7424360 0.83 MMP1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US disclosed