SCHEMBL7338043

SCHEMBL7338043

COC(=O)c1ccc(-c2ccc(Oc3ccc(-c4ccccc4)nn3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A3 P47895 2/20 0.50
GAA P10253 1/20 0.50
EGFR P00533 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.46
PTPN1 P18031 1/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A2 O94788 1/20 0.45
MIF P14174 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7332762 0.87 SRD5A2 (0.47) ALDH1A1SMN1; SMN2HPGDEGFRKDM4E
SCHEMBL8780375 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDGLANPSR1
SCHEMBL7223676 0.82 TP53 (0.56) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL14872145 0.79 CA1 (0.70) ALDH1A1SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL24124576 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HPGDGLANPSR1
SCHEMBL14987948 0.78 MAPK1 (0.67) ALDH1A1SMN1; SMN2HPGDGLANPSR1
SCHEMBL1105491 0.77 TSHR (0.75) ALDH1A1SMN1; SMN2HPGDNPSR1ALDH1A3
SCHEMBL26606524 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDNPSR1GAA
SCHEMBL2152453 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1GAAKDM4E
Phosphine SCHEMBL28496548 0.75 TSHR (0.72) ALDH1A1SMN1; SMN2HPGDNPSR1ALDH1A3

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
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed