SCHEMBL30245750

SCHEMBL30245750

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2cccc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CETP P11597 2/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL25426334 1.00 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245590 0.94 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2NPSR1KDM4E
SCHEMBL30245753 0.93 MAPT (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245088 0.92 MAPT (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245289 0.90 MAPT (0.44) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245060 0.90 PRKDC (0.41) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245588 0.90 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245173 0.89 MAPT (0.41) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT
SCHEMBL30245475 0.88 KDM4E (0.44) ALDH1A1MAPTLMNAPKMMAPK1
SCHEMBL30245914 0.88 MAPT (0.43) ALDH1A1TSHRSMN1; SMN2NPSR1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
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