SCHEMBL14579727

SCHEMBL14579727

COc1ccc2c(c1)CCc1cc(OC(=O)CCC(C)=O)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ GLA P06280 2/20 0.47
▸ MAPT P10636 7/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ATM Q13315 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43

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
SCHEMBL14579699 0.92 KDM4E (0.45) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL14579700 0.91 KDM4E (0.44) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL14579683 0.82 CYP1A2 (0.62) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL28340805 0.78 KMT2A (0.66) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30194762 0.78 SMN1; SMN2 (0.48) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28409126 0.78 SMN1; SMN2 (0.48) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17108416 0.76 MPO (0.59) KDM4EGLAMAPTRAB9ASMN1; SMN2
SCHEMBL17070937 0.76 METAP1 (0.53) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL14579688 0.75 KMT2A (0.53) KDM4EGLAMAPTRAB9ANPC1
SCHEMBL10897419 0.73 MAPT (0.67) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7175955-B2 Electrophotographic photoreceptor, electrophotographic process cartridge and image forming apparatus FUJI XEROX CO., LTD. (JP) 2007-02-13 — — US disclosed
Send feedback