SCHEMBL8891086

SCHEMBL8891086

COC(=O)c1ccc(F)cc1Cc1ccccc1CBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.39
CXCR2 P25025 1/20 0.38

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
SCHEMBL7703503 0.87 FFAR4 (0.45) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL8891670 0.85 PLA2G2A (0.50) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL1741537 0.82 PLA2G2A (0.52) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL29604367 0.78 SLC6A4 (0.44) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL1435113 0.78 SLC6A4 (0.44) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL12489097 0.78 FFAR4 (0.47) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL104703 0.77 ALDH1A1 (0.67) ALDH1A1LMNASLC6A3TSHRKDM4E
SCHEMBL30945155 0.77 ALDH1A1 (0.67) ALDH1A1LMNASLC6A3TSHRKDM4E
SCHEMBL16958853 0.76 SLC6A4 (0.49) PLA2G2AALDH1A1LMNASLC6A4SLC6A3
SCHEMBL31556092 0.76 ALDH1A1 (0.57) PLA2G2AALDH1A1LMNASMN1; SMN2KDM4E

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed