SCHEMBL23864368

SCHEMBL23864368

C=C(CC)c1cccc(CNc2ccccc2C(=C)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ PPM1D O15297 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ AURKA O14965 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36

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
SCHEMBL14452916 0.72 PRSS1 (0.52) HSD17B10
SCHEMBL30343750 0.71 HSD17B10 (0.55) HSD17B10ALDH1A1POLBHPGDCTDSP1
SCHEMBL2260448 0.71 SMN1; SMN2 (0.38) MAOAMAOBHSD17B10HPGDL3MBTL1
SCHEMBL20274421 0.70 KDM4E (0.48) MAOAMAOBHSD17B10ALDH1A1POLB
SCHEMBL20072018 0.70 TSHR (0.45) HSD17B10ALDH1A1POLBHPGDL3MBTL1
SCHEMBL16795534 0.68 HDAC8 (0.60) MAOAMAOBALDH1A1L3MBTL1HDAC6
SCHEMBL7102004 0.67 MAOA (0.41) MAOAMAOBHSD17B10ALDH1A1L3MBTL1
SCHEMBL23864748 0.67 NR1H4 (0.40) ALDH1A1POLBL3MBTL1
SCHEMBL27446020 0.66 CASP3 (0.35) MAOAMAOBHSD17B10ALDH1A1POLB
SCHEMBL15832195 0.66 ROCK2 (0.40) MAOAMAOBHPGDL3MBTL1HDAC6

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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