SCHEMBL7984996

SCHEMBL7984996

O=C(c1ccccc1)C(O)c1ccc(OC(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
CES2 O00748 3/20 0.62
CES1 P23141 3/20 0.62
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
GFER P55789 1/20 0.46
ADAM17 P78536 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.44
TEAD4 Q15561 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6836826 0.81 LMNA (0.69) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL15955701 0.81 CES2 (0.60) LMNACES2CES1MAPTTSHR
SCHEMBL7007282 0.80 LMNA (0.67) LMNACES2CES1MAPTALDH1A1
SCHEMBL2528895 0.80 LMNA (0.67) LMNACES2CES1MAPTALDH1A1
SCHEMBL29116440 0.79 LMNA (0.66) LMNACES2CES1MAPTALDH1A1
SCHEMBL8027218 0.79 CES2 (0.61) LMNACES2CES1MAPTALDH1A1
Benzoin SCHEMBL2025536 0.78 CES2 (1.00) LMNACES2CES1TSHRALDH1A1
Benzoin SCHEMBL901258 0.78 CES2 (1.00) LMNACES2CES1TSHRALDH1A1
Benzoin SCHEMBL145 0.78 CES2 (1.00) LMNACES2CES1TSHRALDH1A1
Benzoin SCHEMBL5833429 0.78 CES2 (1.00) LMNACES2CES1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172093-B1 PESTICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5969147-A Substituted biphenyloxazolines BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
EP-0696584-B1 Substituted biphenyloxazolines and their use as fungicides BAYER AG (DE) 1999-01-20 EP disclosed
EP-0696584-A1 Substituted biphenyloxazolines and their use as fungicides BAYER AG (DE) 1996-02-14 EP disclosed