SCHEMBL6549228

SCHEMBL6549228

COc1ccc(COC2CCC(=O)C(C3=CCCCC3)C2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KCNA5 P22460 1/20 0.36
REN P00797 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL6885649 1.00 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6548680 0.79 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6884561 0.75 METAP2 (0.35) KCNA5RENALDH1A1TACR1
SCHEMBL17803300 0.69 REN (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22006160 0.69 REN (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6550961 0.68 TACR1 (0.34) RENALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL18615761 0.65 NAAA (0.54) KCNA5REN
SCHEMBL22588318 0.64 REN (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22454181 0.64 NAAA (0.56) KCNA5CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4525509 0.64 GAA (0.47) HCRTR1HCRTR2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480964-A1 INHIBITEURS DE L'ANGIOGENESE Galderma Research & Development, S.N.C. (FR) 2004-12-01 EP disclosed
WO-2003040119-A1 ANGIOGENESIS INHIBITORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-05-15 WO disclosed