SCHEMBL7630554

SCHEMBL7630554

COc1ccc2c(c1)C(=O)N1CCCC1(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 1/20 0.44
KDM4E B2RXH2 5/20 0.43
KLK7 P49862 1/20 0.43
MALT1 Q9UDY8 2/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.39
LRRK2 Q5S007 2/20 0.39
HTR2B P41595 2/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37
GLA P06280 2/20 0.37
CA1 P00915 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
SCHEMBL7630550 1.00 PPIB (0.44) PPIBKDM4EKLK7MALT1HTR2A
SCHEMBL7630543 1.00 PPIB (0.44) PPIBKDM4EKLK7MALT1HTR2A
SCHEMBL31562962 0.78 ALDH1A1 (0.40) KDM4EMALT1HTR2AHTR2CHTR2B
SCHEMBL10645197 0.70 PPIB (0.45) PPIBKDM4EKLK7HTR2AHTR2C
SCHEMBL9965929 0.68 HDAC3 (0.58) PPIBKDM4EKLK7HTR2CALDH1A1
SCHEMBL6086511 0.68 KDM4E (0.65) PPIBKDM4EKLK7ALDH1A1GAA
SCHEMBL620146 0.68 KDM4E (0.63) PPIBKDM4EKLK7ALDH1A1GAA
SCHEMBL12490443 0.68 PPIB (0.43) PPIBKDM4EKLK7MALT1ALDH1A1
SCHEMBL9744849 0.68 PARP1 (0.46) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL8515318 0.68 PPIB (0.43) PPIBKDM4EKLK7MALT1ALDH1A1

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-0891365-B1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSES UNIV CALIFORNIA (US) 2002-10-16 EP disclosed
EP-0891365-A1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-01-20 EP disclosed
WO-1997036907-A9 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE 1997-12-04 WO disclosed
WO-1997036907-A1 BENZOXAZINES FOR ENHANCING SYNAPTIC RESPONSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-10-09 WO disclosed