SCHEMBL25796558

SCHEMBL25796558

C/C=C\C(=C/CC)Nc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL25839247 0.78 KMT2A (0.39) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL21290371 0.74 NPC1 (0.52) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL23444625 0.74 RAB9A (0.39) RAB9ANPC1HPGDALDH1A1ALOX12
SCHEMBL23443816 0.73 NPC1 (0.40) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL7622299 0.73 MMP1 (0.68) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL7622295 0.73 MMP1 (0.68) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL21164058 0.71 RAB9A (0.48) RAB9ANPC1HPGDALDH1A1MMP1
SCHEMBL20671121 0.69 RAB9A (0.36) RAB9ANPC1HPGDALDH1A1ALOX12
SCHEMBL19828311 0.68 RAB9A (0.57) RAB9ANPC1HPGDALDH1A1ALOX12
SCHEMBL22787322 0.67 HPGD (0.61) RAB9ANPC1HPGDALDH1A1MMP1

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
WO-2023127495-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-07-06 — — WO disclosed
Send feedback