SCHEMBL13291399

SCHEMBL13291399

O=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
POLB P06746 1/20 0.47
SRD5A2 P31213 3/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA2 P17301 1/20 0.45
DHODH Q02127 1/20 0.44
CDC25B P30305 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL13291400 0.97 CHRNA7 (0.55) CHRNA7BCL2L1MCL1POLBSRD5A2
SCHEMBL13291402 0.97 CHRNA7 (0.55) CHRNA7BCL2L1MCL1POLBSRD5A2
SCHEMBL13291398 0.92 ITGB1 (0.50) BCL2L1POLBITGB1ITGA2CDC25B
SCHEMBL13291401 0.90 CHRNA7 (0.47) CHRNA7BCL2L1MCL1POLBSRD5A2
SCHEMBL13291403 0.85 MCL1 (0.44) CHRNA7BCL2L1MCL1POLBHCRTR1
SCHEMBL8465626 0.82 CYP2C9 (0.53) BCL2L1HCRTR1HCRTR2CDC25BATM
SCHEMBL13291426 0.81 MMP2 (0.51) CHRNA7BCL2L1ALDH1A1CYP2C9
SCHEMBL5959807 0.80 CYP2C9 (0.58) MCL1HCRTR1HCRTR2CDC25BATM
SCHEMBL17668667 0.80 BCL2L1 (0.55) CHRNA7BCL2L1MCL1SRD5A2ALDH1A1
SCHEMBL13291420 0.80 NPC1 (0.44) CHRNA7BCL2L1ITGB1ITGA2ALDH1A1

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-7727654-B2 Membrane of a sulfonated aromatic polymers having polyphenyl and polyphenylene ether units with fluorine and nitrile groups; higher proton conductivity over a wide temperature range, and exhibits superior hot water resistance, chemical stability, toughness and mechanical strength HONDA MOTOR CO., LTD. (JP) 2010-06-01 US disclosed