SCHEMBL9768119

SCHEMBL9768119

COc1cc(C2CCCC2=O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.53
LMNA P02545 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B3 P37058 1/20 0.43
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL28414869 0.95 PTAFR (0.51) PTAFRLMNACA1CA2CA4
SCHEMBL318046 0.79 GID4 (0.43) KMT2AALDH1A1TSHR
SCHEMBL9719028 0.79 PTAFR (0.55) PTAFRLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9719064 0.79 PTAFR (0.55) PTAFRLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL9719047 0.79 PTAFR (0.55) PTAFRLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL11844345 0.78 PDE4A (0.51) LMNAKMT2AALDH1A1MAPTCYP1A2
SCHEMBL4129415 0.76 PDE4A (0.50) LMNAKMT2AALDH1A1MAPTCYP1A2
SCHEMBL28455534 0.76 PDE4A (0.53) PTAFRLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28890937 0.75 PDE4B (0.43) LMNACA1CA2CA4CA6
SCHEMBL10109186 0.75 MAPK1 (0.45) LMNACA1CA2CA4CA6

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-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed