SCHEMBL8518764

SCHEMBL8518764

COc1ccc(CCNC[C]=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GLA P06280 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CA5A P35218 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ADRB2 P07550 2/20 0.57
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7435099 0.86 ATM (0.76) POLBATMSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11808765 0.84 ATM (0.73) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL21709074 0.84 ATM (0.63) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5635596 0.83 ALDH1A1 (0.58) POLBSMN1; SMN2ALDH1A1KDM4EGLA
SCHEMBL21709261 0.83 ATM (0.61) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6292940 0.82 ATM (0.65) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1966411 0.81 ATM (0.69) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1972067 0.80 SIGMAR1 (0.70) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11811971 0.80 SLC2A1 (0.68) POLBATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30798962 0.80 SLC2A1 (0.76) POLBATMSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009641-A1 SEMIPEPTOID FARNESYL PROTEIN TRANSFERASE INHIBITORS AND ANALOGS THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-03-12 WO claimed
US-5990277-A ANTICARCINOGENIC/ANTITUMOR/ANTIPROLIFERATIVE AGENTS AGAINST ONCOGENIC OR NON-ONCOGENIC RAS ASSOCIATED CANCERS AND PROLIFERATIVE DISORDERS; DERIVED FROM UNIVERSAL RECOGNITION TETRAPEPTIDE SEQUENCE CAAX YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HERBREW UNIVERSITY OF JERUSALEM (IL) 1999-11-23 US disclosed
WO-1998009641-A1 SEMIPEPTOID FARNESYL PROTEIN TRANSFERASE INHIBITORS AND ANALOGS THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-03-12 WO disclosed