SCHEMBL30245753

SCHEMBL30245753

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccc(OCCOCCOc3cccc(OC)c3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ PRKDC P78527 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL30245750 0.93 ALDH1A1 (0.46) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL25426334 0.93 ALDH1A1 (0.46) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL30244883 0.93 ALDH1A1 (0.49) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244884 0.93 MAPT (0.44) MAPTALDH1A1LMNAPKMMAPK1
SCHEMBL30245914 0.91 MAPT (0.43) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL30244867 0.89 LTA4H (0.53) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245173 0.88 MAPT (0.41) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL30245289 0.88 MAPT (0.44) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL30245395 0.87 MAPT (0.46) MAPTALDH1A1TSHRLMNAPKM
SCHEMBL30245817 0.87 ALDH1A1 (0.45) MAPTALDH1A1TSHRLMNAPKM

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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