SCHEMBL6969835

SCHEMBL6969835

CCOC(=O)[C@H]1CCCCN1CC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
CHRM1 P11229 3/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8500525 1.00 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6963449 0.90 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6966869 0.90 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6962597 0.90 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6962044 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CHRM1
Hydrochloric Acid SCHEMBL6959950 0.83 SMN1; SMN2 (0.45) SMN1; SMN2CHRM1
SCHEMBL7170150 0.80 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7165591 0.80 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6964102 0.79 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8720453 0.78 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; 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
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed