SCHEMBL11508591

SCHEMBL11508591

COC(OC)c1cc(=O)c2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 6/20 0.51
TNKS O95271 5/20 0.51
CYP3A4 P08684 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 3/20 0.51
GLA P06280 3/20 0.51
MAOB P27338 3/20 0.51
LMNA P02545 3/20 0.51
THRB P10828 2/20 0.51
KCNA5 P22460 1/20 0.51
KCNH2 Q12809 1/20 0.51
NLRP3 Q96P20 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 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
SCHEMBL5340573 0.80 TNKS (0.59) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL11511009 0.79 MAOB (0.61) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL4740673 0.77 PPARG (0.50) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL2483048 0.77 KDM4E (0.56) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL30503392 0.77 KDM4E (0.56) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL16915378 0.77 HPGD (0.62) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL28404112 0.75 CYP2C9 (0.50) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL2981579 0.75 NPC1 (0.58) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL11160070 0.75 TNKS (0.50) HPGDSMN1; SMN2KDM4EMAPTTNKS
SCHEMBL10859564 0.74 CYP2D6 (0.47) HPGDSMN1; SMN2KDM4EMAPTALDH1A1

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
US-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed
US-4158663-A FROM 4-METHOXYCOUMARINS USING SODIUM HYDRIDE AND DIMETHYLSULFOXIDE WARNER-LAMBERT COMPANY (US) 1979-06-19 US disclosed