SCHEMBL27444155

SCHEMBL27444155

CC(=O)C(C(=O)C(F)(F)F)c1ccccc1.[Ti]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ CES1 P23141 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL2082953 0.98 SRC (0.48) SRCCES1HPGDCYP2D6HDAC3
Hydrochloric Acid SCHEMBL27461611 0.95 SRC (0.45) SRCCES1HPGDCYP2D6HDAC3
SCHEMBL22351001 0.86 SRC (0.56) SRCCES1CYP2D6HDAC3HDAC4
SCHEMBL28895362 0.81 HDAC3 (0.39) CES1HDAC3HDAC4HDAC1HDAC6
SCHEMBL28437637 0.80 HDAC4 (0.45) CES1HDAC4KMT2AMEN1
SCHEMBL1312762 0.80 SRC (0.64) SRCCES1HPGDCYP2D6HDAC3
SCHEMBL29256700 0.79 SRC (0.48) SRCCES1HPGDCYP2D6KMT2A
SCHEMBL8858902 0.79 SRC (0.44) SRCCES1HDAC4HDAC6KMT2A
SCHEMBL27542241 0.78 UGT2B7 (0.46) CYP2D6KMT2AMEN1
SCHEMBL11012611 0.78 SRC (0.61) SRCCES1HPGDCYP2D6HDAC3

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
CN-1119358-C Syndiotactic polystyrene catalyst and its preparation and application CHINA PETROCHEMICAL CORP (CN) 2003-08-27 — — CN disclosed
CN-1297951-A Syndiotactic polystyrene catalyst and its preparation and application CHINA PETROCHEMICAL CORP (CN) 2001-06-06 — — CN disclosed
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