SCHEMBL29569825

SCHEMBL29569825

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)ON3C(=O)CCC3=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ FTO Q9C0B1 10/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMAD3 P84022 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL11993611 1.00 ALDH1A1 (0.46) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL29678518 0.96 ALDH1A1 (0.43) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL20340166 0.93 MEN1 (0.41) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL20967763 0.91 ALDH1A1 (0.39) ALDH1A1HPGDTDP1CYP3A4HIF1A
SCHEMBL30064563 0.87 FTO (0.56) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL29501272 0.87 FTO (0.56) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL29995636 0.87 FTO (0.56) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL164316 0.87 FTO (0.56) ALDH1A1HPGDTDP1CYP3A4HSD17B10
SCHEMBL22434375 0.85 MAPT (0.63) ALDH1A1HPGDTDP1CYP3A4MEN1
SCHEMBL29359210 0.85 MAPT (0.63) ALDH1A1HPGDTDP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107746-A1 COMPOSITIONS AND METHODS OF DETECTING AND TREATING THROMBOSIS AND VASCULAR PLAQUES MICROVASCULAR THERAPEUTICS, LLC (US) 2023-06-15 — — WO disclosed
CN-114364383-A Compositions and methods for detecting and treating thrombosis and vascular plaque 微脉管治疗有限公司 2022-04-15 — — CN disclosed
EP-3980016-A1 COMPOSITIONS AND METHODS OF DETECTING AND TREATING THROMBOSIS AND VASCULAR PLAQUES Microvascular Therapeutics LLC (US) 2022-04-13 — — EP disclosed
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