SCHEMBL28052029

SCHEMBL28052029

O=C(c1cccc(C(F)(F)F)c1O)c1cccc(C(F)(F)F)c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
CNR2 P34972 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.41
PTGS1 P23219 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
FABP4 P15090 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALB P02768 1/20 0.39
NFKB1 P19838 1/20 0.39
CTSS P25774 1/20 0.39
KAT6A Q92794 1/20 0.38

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
SCHEMBL31120746 0.86 ALB (0.57) LMNAGAAKMT2ATAS2R14KCNK3
SCHEMBL1508508 0.86 ALB (0.57) LMNAGAAKMT2ATAS2R14KCNK3
SCHEMBL8180757 0.85 CES2 (0.44) LMNAGAACNR2TAS2R14ALB
SCHEMBL3319520 0.84 LMNA (0.46) LMNAGAATAS2R14PTGS1KCNK3
SCHEMBL8513460 0.84 PARP1 (0.47) LMNAGAACYP3A4TAS2R14PTGS1
SCHEMBL8174820 0.84 CES2 (0.46) LMNAGAAALB
SCHEMBL746794 0.80 LMNA (0.64) LMNAGAACNR2PTGS1KCNK3
SCHEMBL24450817 0.80 PDK2 (0.44) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL24450818 0.80 PDK2 (0.44) LMNAGAATAS2R14CTSS
SCHEMBL1508457 0.80 LMNA (0.50) LMNAGAATAS2R14CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN claimed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN disclosed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN disclosed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed