SCHEMBL29300039

SCHEMBL29300039

Cc1cc(C(C)(C)Oc2c(C)cc(C(C)(C)c3cc(C)c(OC(C)(C)c4cc(C)c(OC(C)(C)c5ccc(N)cc5)c(C)c4)c(C)c3)cc2C)cc(C)c1OC(C)(C)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.36
CASP1 P29466 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 3/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL26228923 0.87 ALDH1A1 (0.45) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL9082044 0.76 ALDH1A1 (0.55) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL1854909 0.75 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL1854036 0.75 ALDH1A1 (0.58) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL28959032 0.75 ALDH1A1 (0.58) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL19085373 0.74
SCHEMBL25567739 0.74 ESR1 (0.41) ALDH1A1MAPTHPGDMAPK1ESR1
SCHEMBL10631366 0.72 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL23992554 0.72
SCHEMBL26604996 0.72 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AHPGD

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-20240228705-A1 RESIN COMPOSITION NAN YA PLASTICS CORPORATION (TW) 2024-07-11 US disclosed