SCHEMBL7737510

SCHEMBL7737510

CC(C)(OC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.48
KCNN4 O15554 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CES1 P23141 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL12117853 0.85 KCNN4 (0.46) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL22168543 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL24142506 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL27304306 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL26939648 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL29382932 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL10857550 0.80 KCNN4 (0.44) ALDH1A1KCNN4CYP2C19HIF1AMAPT
SCHEMBL13346704 0.80 CYP2C19 (0.42) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL8647287 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL7099802 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1KCNN4CYP2C19

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-6409328-B1 BY MEANS OF A THERMAL PRINTER HEAD; COMPOUND CAPABLE OF RELEASING A STRONG ACID UNDER THE ACTION OF HEAT AND A COMPOUND CAPABLE OF FORMING A DYE BY THE REACTION WITH AN ACID FUJI PHOTO FILM CO., LTD. (JP) 2002-06-25 US disclosed