SCHEMBL11265843

SCHEMBL11265843

CCOC(=O)c1cc(=O)c(C(=O)c2ccc(C(C)(C)C)cc2)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAOB P27338 3/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 2/20 0.40
AKR1B1 P15121 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SRD5A2 P31213 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL11091143 0.85 MAOB (0.47) SMN1; SMN2MAOBALDH1A1AKR1B1MEN1
SCHEMBL11278936 0.84 GPR35 (0.48) MAPTLMNASMN1; SMN2MAOBALDH1A1
SCHEMBL11266671 0.82 SRD5A2 (0.51) LMNASMN1; SMN2ALDH1A1GAATDP1
SCHEMBL15143796 0.79 MAOB (0.49) MAPTLMNAMAOBALDH1A1GAA
SCHEMBL11261990 0.79 MAOB (0.44) MAPTLMNAMAOBALDH1A1AKR1B1
SCHEMBL28346379 0.76 AKR1B1 (0.45) MAPTLMNASMN1; SMN2MAOBALDH1A1
SCHEMBL19755580 0.76 GAA (0.47) MAPTLMNASMN1; SMN2MAOBALDH1A1
SCHEMBL571045 0.73 CA12 (0.63) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL17862227 0.71 GAA (0.50) MAPTLMNAMAOBALDH1A1GAA
SCHEMBL9645683 0.70 HSD17B10 (0.49) MAPTLMNASMN1; SMN2MAOBALDH1A1

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