SCHEMBL7868068

SCHEMBL7868068

CC(=O)Oc1cccc(C(=O)CCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 1/20 0.51
ABCB1 P08183 6/20 0.51
MAOB P27338 1/20 0.50
GPR52 Q9Y2T5 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL7166019 0.87 RAB9A (0.69) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL9049629 0.84 NPC1 (0.74) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL715536 0.82 CYP3A4 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10501527 0.81 ACHE (0.46) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL9320692 0.80 RAB9A (0.64) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL11380014 0.79 LMNA (0.50) RAB9ANPC1ALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL11194556 0.79 PPARG (0.46) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL9137382 0.79 LMNA (0.56) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL5314324 0.78 ELANE (0.70) RAB9ANPC1ALDH1A1TDP1MAPT
SCHEMBL27628173 0.78 RAB9A (0.69) RAB9ANPC1ALDH1A1TDP1MAPT

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