SCHEMBL5280005

SCHEMBL5280005

C1COCO1.O=C(C=Cc1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
PLIN1 O60240 2/20 0.46
RECQL P46063 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TNKS O95271 1/20 0.46

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
SCHEMBL4412144 0.87 LMNA (0.59) RAB9AHDAC3HDAC4HDAC1HDAC2
SCHEMBL2396441 0.87 LMNA (0.59) RAB9AHDAC3HDAC4HDAC1HDAC2
Dioxane SCHEMBL28234510 0.74 MAPT (0.76) RAB9AHDAC3HDAC4HDAC1HDAC2
Dioxane SCHEMBL28839430 0.74 MAPT (0.76) RAB9AHDAC3HDAC4HDAC1HDAC2
SCHEMBL4780413 0.73 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1372519 0.73 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4780407 0.73 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL1372517 0.73 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
Dioxane SCHEMBL8015425 0.71 RAB9A (0.58) RAB9AHDAC3HDAC4HDAC1HDAC2
SCHEMBL7625595 0.71 TYR (0.61) RAB9AHDAC3HDAC4HDAC1HDAC2

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-2007000329-A2 EPOXIDATION OF ALPHA, BETA-UNSATURATED KETONES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-04 WO disclosed