SCHEMBL11090305

SCHEMBL11090305

NC(=O)c1ccc(OCc2ccccc2)cc1CCN1CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.47
▸ EGFR P00533 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MCHR1 Q99705 2/20 0.44
▸ NMT2 O60551 1/20 0.42
▸ NMT1 P30419 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ FKBP1A P62942 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL11090303 0.81 KDM4E (0.47) ALDH1A1MAPTEGFRCNR1CNR2
SCHEMBL11091059 0.81 EGFR (0.49) ALDH1A1EGFRKDM4ESMN1; SMN2HTT
SCHEMBL11195099 0.75 EGFR (0.57) ALDH1A1MAPTEGFREPHX2HPGD
SCHEMBL18614962 0.73 PARP10 (0.52) MAPTKDM4E
SCHEMBL11117435 0.70 MAPT (0.67) ALDH1A1MAPTEGFRHPGDSMN1; SMN2
SCHEMBL7369285 0.70 EGFR (0.48) ALDH1A1MAPTEGFREPHX2CNR1
SCHEMBL487963 0.69 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL23235218 0.68 KMT2A (0.78) ALDH1A1MAPTEGFREPHX2HTT
SCHEMBL1448590 0.68 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL10607328 0.68 KMT2A (0.49) ALDH1A1MAPTCNR1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443603-A PROTEOLYTIC ENZYME INHIBITORS KOWA COMPANY LIMITED (JP) 1984-04-17 — — US disclosed
EP-0067561-A2 Piperazine derivatives and processes for producing them KOWA COMPANY, LTD. (JP) 1982-12-22 — — EP disclosed
Send feedback