SCHEMBL11261990

SCHEMBL11261990

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1B1 P15121 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ELANE P08246 2/20 0.39
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 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
SCHEMBL11271259 0.86 AKR1B1 (0.50) MAOBALDH1A1AKR1B1NPC1RAB9A
SCHEMBL11271239 0.86 GPR35 (0.47) MAOBALDH1A1HPGDNPSR1AKR1B1
SCHEMBL11265196 0.84 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1NPC1RAB9A
SCHEMBL11269705 0.79 MAPT (0.41) MAOBALDH1A1AKR1B1NPC1RAB9A
SCHEMBL11265843 0.79 MAPT (0.43) MAOBALDH1A1HPGDNPSR1AKR1B1
SCHEMBL11280577 0.76 AKR1B1 (0.43) MAOBALDH1A1HPGDNPSR1AKR1B1
SCHEMBL11275408 0.76 HPGD (0.45) MAOBALDH1A1HPGDNPSR1AKR1B1
SCHEMBL19357359 0.72 CA12 (0.54) ALDH1A1HPGDNPSR1NPC1RAB9A
SCHEMBL28437380 0.72 NPC1 (0.50) MAOBAKR1B1NPC1RAB9AMEN1
SCHEMBL19357358 0.71 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1KDM4ELMNA

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