SCHEMBL11269705

SCHEMBL11269705

CCOC(=O)c1cc(=O)c(Oc2ccc(C3CCCCC3)cc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SLC2A1 P11166 1/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL11282494 0.84 CASP1 (0.41) MAPTALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL11271259 0.82 AKR1B1 (0.50) MAPTALDH1A1MAOBSLC2A1KMT2A
SCHEMBL11271239 0.82 GPR35 (0.47) MAPTALDH1A1SMN1; SMN2MAOBTP53
SCHEMBL11261990 0.79 MAOB (0.44) MAPTALDH1A1MAOBSLC2A1KMT2A
SCHEMBL19357342 0.75 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2MAOALMNA
SCHEMBL21656854 0.75 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2MAOALMNA
SCHEMBL21656494 0.74 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MAOALMNA
SCHEMBL21628564 0.74 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL21628656 0.74 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL21628580 0.73 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNANPC1

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-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed