SCHEMBL10654450

SCHEMBL10654450

COC(=O)CN(c1ccccc1)c1ccc(OC)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G2A P14555 2/20 0.42

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
SCHEMBL9535069 0.83 MTNR1A (0.43) MTNR1AMTNR1BKDM4ECYP1A2CYP2D6
SCHEMBL341538 0.81 KEAP1 (0.47) MTNR1AMTNR1BKDM4ESMN1; SMN2KEAP1
SCHEMBL9539798 0.80 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2482094 0.80 MTNR1A (0.61) MTNR1AMTNR1BKDM4ECYP2C9CYP2C19
SCHEMBL7437555 0.76 MTNR1A (0.49) MTNR1AMTNR1BKDM4ELMNAALDH1A1
SCHEMBL21676556 0.74 KDM4E (0.51) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17659280 0.73 PLA2G2A (0.47) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7021315 0.73 KMT2A (0.51) KDM4EKMT2ALMNAMAPTALDH1A1
SCHEMBL9536183 0.72 MTNR1A (0.43) MTNR1AMTNR1BKDM4EKMT2AMEN1
SCHEMBL2487572 0.72 MTNR1A (0.40) MTNR1AMTNR1BKMT2AMEN1LMNA

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-0092380-B1 ANTIALLERGIC 4H-FURO(3,2-B)INDOLES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-20 EP disclosed
US-4596814-A Antiallergens WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed
US-4503236-A Antiallergic 4Hfuro[3,2-b]indoles WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0092380-A2 Antiallergic 4H-furo(3,2-b)indoles and their production WARNER-LAMBERT COMPANY (US) 1983-10-26 EP disclosed