SCHEMBL26668462

SCHEMBL26668462

COCOc1ccc(-c2ccc(C#CCO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.44
▸ FYN P06241 4/20 0.41
▸ NR2F2 P24468 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ APP P05067 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL20607767 0.95 HRH3 (0.48) HRH3FYNMMP2MMP12APP
SCHEMBL24197392 0.84 APP (0.53) HRH3NR2F2MCHR1MEN1KMT2A
SCHEMBL30614464 0.81 CYP1A1 (0.52) HRH3FYNMCHR1MMP2APP
SCHEMBL13170580 0.80 APP (0.48) MCHR1MMP2APPMMP3
SCHEMBL9672111 0.80 MMP2 (0.50) HRH3NR2F2MMP2MMP12L3MBTL1
SCHEMBL197283 0.80 FYN (0.45) FYNMCHR1MMP2MMP3MAOB
SCHEMBL28687083 0.79 HRH3 (0.54) HRH3MMP2MMP12APPMMP3
SCHEMBL20681007 0.79 HAO1 (0.40) HRH3MCHR1MMP2APPMMP3
SCHEMBL6168268 0.78 APP (0.59) HRH3NR2F2MCHR1MEN1KMT2A
SCHEMBL21715143 0.76 APP (0.41) FYNMCHR1MMP2APPMMP3

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-2023229295-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING PHENYLPROPENE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-11-30 — — WO disclosed
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