SCHEMBL30269738

SCHEMBL30269738

COc1ccc2c(=O)cc(-c3ccc(O)cc3)oc2c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.67
▸ CYP1A1 P04798 2/20 0.67
▸ CYP1B1 Q16678 2/20 0.67
▸ CSNK2A2 P19784 3/20 0.65
▸ CSNK2B P67870 3/20 0.65
▸ CSNK2A1 P68400 3/20 0.65
▸ CYP3A4 P08684 6/20 0.63
▸ CYP2C19 P33261 6/20 0.63
▸ CYP2C9 P11712 5/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ HPGD P15428 3/20 0.63
▸ TERT O14746 4/20 0.60
▸ MEN1 O00255 4/20 0.59
▸ TP53 P04637 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ APP P05067 1/20 0.58

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
SCHEMBL7369647 0.83 TERT (0.74) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL311766 0.83 ALDH1A1 (0.66) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL13355967 0.81 CYP1A1 (0.70) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL7377070 0.81 CSNK2A2 (0.86) CSNK2A2CSNK2BCSNK2A1CYP3A4CYP2C19
SCHEMBL8934506 0.79 TUBB4A (0.79) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL30623098 0.77 ALDH1A1 (1.00) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL4650053 0.77 ALDH1A1 (1.00) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL8934614 0.77 KDM4E (0.74) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B
SCHEMBL5280241 0.77 TERT (0.80) CYP1B1CSNK2A2CSNK2BCSNK2A1CYP3A4
SCHEMBL6612048 0.76 TERT (0.88) CYP1A2CYP1A1CYP1B1CSNK2A2CSNK2B

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-115840018-B Quality detection method of mascot medicinal material 贵州百灵企业集团制药股份有限公司 2025-01-03 — — CN disclosed
CN-115840018-A Quality detection method of reineckea carnea medicinal material 贵州百灵企业集团制药股份有限公司 2023-03-24 — — CN disclosed
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