SCHEMBL28840271

SCHEMBL28840271

O=C(OF)c1ccccc1.[KH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
F2 P00734 1/20 0.61
TSHR P16473 6/20 0.56
TDP1 Q9NUW8 4/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL720782 0.97 LMNA (0.64) LMNAF2TSHRTDP1TP53
SCHEMBL28762534 0.95 LMNA (0.61) LMNAF2TSHRTDP1TP53
Water SCHEMBL28059023 0.95 LMNA (0.61) LMNAF2TSHRTDP1TP53
Fluoromethane SCHEMBL28310899 0.93 TSHR (0.60) LMNAF2TSHRTDP1TP53
SCHEMBL3794586 0.91 LMNA (0.56) LMNAF2TSHRTDP1TP53
SCHEMBL27296187 0.84 PDCD1 (0.58) LMNAF2MAPTHIF1ASMN1; SMN2
SCHEMBL9627860 0.84 CA1 (0.44) LMNAF2TSHRTDP1TP53
SCHEMBL28853380 0.82 TSHR (0.48) LMNAF2TSHRTDP1TP53
SCHEMBL24036696 0.80 TSHR (0.60) TSHRTP53ALDH1A1MAPTCES1
SCHEMBL5314071 0.79 LMNA (0.67) LMNAF2TSHRTDP1TP53

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
CN-104736527-B Catalysis epoxidation method 赢创德固赛有限公司 2017-03-29 CN disclosed