SCHEMBL6580223

SCHEMBL6580223

CCC(=O)Nc1ccc(O)c(C(C)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ NR4A1 P22736 1/20 0.54
▸ KDM4C Q9H3R0 2/20 0.54
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ RET P07949 1/20 0.49

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
SCHEMBL29401086 0.87 ALDH1A1 (0.68) KDM4CKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL7569662 0.87 ALDH1A1 (0.68) KDM4CKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL917056 0.87 POLB (0.54) POLBRAB9ACYP3A4NR4A1KMT2A
SCHEMBL27676821 0.85 CYP3A4 (0.53) POLBRAB9ACYP3A4NR4A1KDM4C
SCHEMBL925741 0.82 SMN1; SMN2 (0.57) POLBRAB9ACYP3A4KDM4CKMT2A
SCHEMBL17365323 0.82 CYP3A4 (0.61) POLBRAB9ACYP3A4NR4A1KMT2A
SCHEMBL30621955 0.82 SMN1; SMN2 (0.57) POLBRAB9ACYP3A4KDM4CKMT2A
SCHEMBL6579751 0.82 ALDH1A1 (0.62) RAB9AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL6581661 0.82 ALDH1A1 (0.62) RAB9AALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8445092 0.82 ALDH1A1 (0.62) RAB9AALDH1A1CYP1A2CYP2D6CYP2C9

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
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 — — EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 — — EP disclosed
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