SCHEMBL7940282

SCHEMBL7940282

COc1c(CNCCO)cccc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 4/20 0.46
GSR P00390 2/20 0.44
CD274 Q9NZQ7 5/20 0.44
PDCD1LG2 Q9BQ51 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
PDCD1 Q15116 1/20 0.40
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL7943010 0.80 GSR (0.55) ALDH1A1KDM4EL3MBTL1GSRCD274
SCHEMBL9694916 0.80 NR1H4 (0.39) ALDH1A1KDM4EL3MBTL1KMT2ACYP1A2
SCHEMBL16154153 0.79 CA2 (0.42) ALDH1A1KDM4ECD274TSHRPDCD1
SCHEMBL7942407 0.78 KMT2A (0.51) ALDH1A1KDM4EL3MBTL1KMT2AGSR
SCHEMBL8399034 0.78 KMT2A (0.51) ALDH1A1KDM4EL3MBTL1KMT2AGSR
SCHEMBL6565823 0.77 NR1H4 (0.38) ALDH1A1KDM4ETSHR
SCHEMBL6568787 0.76 ALOX5 (0.39) ALDH1A1KDM4ECYP2D6CYP2C9LMNA
SCHEMBL7943125 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1CD274TSHR
SCHEMBL25450879 0.74 GABRA1 (0.43) ALDH1A1L3MBTL1TSHR
SCHEMBL7942257 0.74 GSR (0.69) ALDH1A1KDM4EKMT2AGSRCD274

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-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed