SCHEMBL27335757

SCHEMBL27335757

C=C(/C=C/c1ccc(C)cc1)C/C(C)=C/C=C(\C)NC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 2/20 0.34

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
SCHEMBL20145712 0.72 MAPT (0.50) CYP3A4CYP2C19CYP2C9SMN1; SMN2RAB9A
SCHEMBL21281461 0.72 ACHE (0.45) CYP3A4CYP2C19CYP2C9SMN1; SMN2RAB9A
SCHEMBL21727657 0.69 CYP3A4 (0.55) CYP3A4CYP2C19CYP2C9SMN1; SMN2RAB9A
SCHEMBL29242178 0.69 CYP3A4 (0.55) CYP3A4CYP2C19CYP2C9SMN1; SMN2RAB9A
SCHEMBL22114228 0.69 MAPT (0.53) CYP3A4CYP2C19CYP2C9SMN1; SMN2RAB9A
SCHEMBL22780622 0.64 MMP13 (0.38) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL13392807 0.64 RAB9A (0.60) CYP3A4CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL14926305 0.64 RAB9A (0.60) CYP3A4CYP2C19SMN1; SMN2RAB9ANPC1
SCHEMBL22060467 0.63 RAB9A (0.70) CYP3A4SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14548003 0.63 AKR1B10 (0.61) CYP2C9SMN1; SMN2LMNAMMP1MMP2

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-2024024119-A1 OPTICAL LAMINATE 住友化学株式会社 2024-02-01 WO disclosed