SCHEMBL7871803

SCHEMBL7871803

CC(C)CCC(=O)Oc1ccc(C(CCO)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 1/20 0.43
HIF1A Q16665 1/20 0.43
FFAR1 O14842 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR88 Q9GZN0 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.39
TRPA1 O75762 1/20 0.39
NPY5R Q15761 1/20 0.39
PTGS2 P35354 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL666850 0.83 ALDH1A1 (0.48) ALDH1A1ESR1HIF1AKMT2ALMNA
Ammonia Solution, Strong SCHEMBL28310523 0.82 ALDH1A1 (0.47) ALDH1A1ESR1HIF1AKMT2ALMNA
SCHEMBL9724792 0.81 MAPT (0.51) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL27484392 0.80 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL11815316 0.79 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL2987920 0.77 PRSS1 (0.51) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL7260994 0.77 PARP10 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2ELANE
SCHEMBL2636796 0.77 ALDH1A1 (0.43) ALDH1A1ESR1HIF1AKMT2ALMNA
SCHEMBL2170541 0.74 PRSS1 (0.51) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL27733707 0.74 TDP1 (0.51) ALDH1A1ESR1HIF1AKMT2ALMNA

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-6316405-B1 CYCLOSPORIN A, POLYPEPTIDES, COMPONENT OF AMYLOID PLAQUES FOUND IN NEUROLOGICAL DISORDERS SUCH AS ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, AND AMYOTROPHIC LATERAL SCLEROSIS. THE CONJUGATES ARE USEFUL IN THE TREATMENT OF NEUROLOGICAL WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-11-13 US disclosed