SCHEMBL5724043

SCHEMBL5724043

O=c1cc(-c2ccccc2)oc2c1C=CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.48
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.47
HPGD P15428 5/20 0.47
CYP1B1 Q16678 4/20 0.47
AR P10275 4/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TNKS O95271 3/20 0.47
CYP19A1 P11511 2/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
NPC1 O15118 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47

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
SCHEMBL7915034 0.77 MAPT (0.48) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
SCHEMBL6039103 0.76 CYP1B1 (0.47) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
SCHEMBL10824405 0.71 PLA2G2A (0.50) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
SCHEMBL10810958 0.71 KDM4E (0.41) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
SCHEMBL3520877 0.71 CYP3A4 (0.50) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
Acetamide SCHEMBL4060765 0.70 MAPT (0.44) CYP1A1CYP1A2CYP3A4HPGDCYP1B1
SCHEMBL26249669 0.69 PRKDC (0.39) CYP1A1CYP1A2HPGDCYP1B1TP53
SCHEMBL26267707 0.69 PRKDC (0.39) CYP1A1CYP1A2HPGDCYP1B1TP53
SCHEMBL18714133 0.68 CYP1A1 (0.32) CYP1A1CYP1A2CYP1B1RAB9AALDH1A1
SCHEMBL30064082 0.67 MAOA (0.50) CYP3A4HPGDCYP1B1ARTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114075162-A Crystal form B of 7, 8-dihydroxyflavone derivative, and preparation method and application thereof 上海博芮健制药有限公司 2022-02-22 CN disclosed
CN-111825649-A Purification method of 7,8-dihydroxyflavone derivative 上海博芮健制药有限公司 2020-10-27 CN disclosed
WO-2008016838-A1 TOPICAL SKIN COMPOSITIONS, THEIR PREPARATION AND THEIR USE ACCESS BUSINESS GROUP INTERNATIONAL LLC (US) 2008-02-07 WO disclosed
EP-1077697-B1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2006-07-19 EP disclosed