SCHEMBL30875628

SCHEMBL30875628

CC(C)CNC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)NCC(C)C)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ MLYCD O95822 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22283351 0.82 CYP1A2 (0.48) KMT2AGAAKDM4ETAAR1CYP1A2
SCHEMBL5185604 0.79 POLB (0.49) KMT2AHSD17B10GAAKDM4ECYP1A2
SCHEMBL823146 0.79 CYP1A2 (0.48) KMT2AMEN1GAAKDM4ECYP1A2
SCHEMBL18041176 0.78 TSHR (0.51) KMT2AMEN1SMN1; SMN2TP53KDM4E
SCHEMBL30195119 0.78 MEN1 (0.54) KMT2AMEN1SMN1; SMN2TP53KDM4E
SCHEMBL4812105 0.77 HTT (0.57) SMN1; SMN2CYP1A2TSHRHTTHPGD
SCHEMBL30875593 0.77 HTT (0.57) SMN1; SMN2CYP1A2TSHRHTTHPGD
SCHEMBL2208134 0.77 NPC1 (0.65) SMN1; SMN2TP53KDM4ETAAR1MAPT
SCHEMBL12172746 0.77 KDM4E (0.66) KMT2AMEN1SMN1; SMN2HSD17B10GAA
SCHEMBL31432180 0.77 KDM4E (0.66) KMT2AMEN1SMN1; SMN2HSD17B10GAA

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
CN-117898038-A Light receiving device, light receiving/emitting device, and electronic apparatus 株式会社半导体能源研究所 2024-04-16 — — CN disclosed
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