SCHEMBL7485171

SCHEMBL7485171

COCCOc1cc2oc(=O)c(C)c(C)c2cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOB P27338 10/20 0.44
MAOA P21397 7/20 0.43
HDAC1 Q13547 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8194988 0.89 MAOB (0.47) RAB9AALDH1A1HPGDPOLBTSHR
SCHEMBL7484704 0.85 MAOB (0.45) RAB9AALDH1A1HPGDPOLBTSHR
SCHEMBL7485681 0.84 KDM4E (0.50) RAB9AALDH1A1HPGDPOLBHSD17B10
SCHEMBL8196371 0.77 CELA1 (0.48) RAB9AALDH1A1HPGDPOLBTSHR
SCHEMBL7493197 0.76 MEN1 (0.43) RAB9AALDH1A1HPGDPOLBTSHR
SCHEMBL13028007 0.71 KDM4E (0.46) ALDH1A1HPGDPOLBTSHRHSD17B10
SCHEMBL8807147 0.70 ACHE (0.53) KDM4EMAOBMEN1KMT2A
SCHEMBL7493192 0.70 KDM4E (0.45) RAB9AALDH1A1HPGDPOLBHSD17B10
SCHEMBL7537705 0.70 MAOB (0.39) ALDH1A1HSD17B10MAOB
SCHEMBL385093 0.70 MAPT (0.51) RAB9AALDH1A1HPGDHSP90AA1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-6077829-A COMPRISING BRAIN DERIVED NEUROTROPHIC FACTOR(BDNF), POLYOXYETHYLENE SORBITAN MONOOLEATE AS NONIONIC SURFACTANT, AND CARRIER; PREVENTS DENATURING AND POLYMERIZATION OF BDNF; STORAGE STABILITY REGENERON PHARMACEUTICALS, INC. (US) 2000-06-20 US disclosed