SCHEMBL30360959

SCHEMBL30360959

CCOC(=O)[C@H]1CCCN(C(=O)C(C)Oc2ccc3c(-c4ccc(F)cc4Cl)cc(=O)oc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.54
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 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
SCHEMBL22431780 1.00 MAPT (0.54) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30762860 1.00 MAPT (0.54) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL20848098 1.00 MAPT (0.54) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL20847985 0.92 CYP3A4 (0.46) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30762947 0.92 CYP3A4 (0.46) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL26134715 0.92 CYP3A4 (0.46) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL20847989 0.91 CYP3A4 (0.50) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30762844 0.91 CYP3A4 (0.50) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL26134069 0.91 CYP3A4 (0.50) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30055214 0.91 MAPT (0.57) MAPTCYP3A4CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN disclosed
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP disclosed
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