SCHEMBL11208262

SCHEMBL11208262

O=C(CF)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
ACHE P22303 1/20 0.56
KMT2A Q03164 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 3/20 0.51

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
SCHEMBL11537661 0.95 HDAC8 (0.61) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL11754615 0.90 ALDH1A1 (0.62) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL1436043 0.83 ALDH1A1 (0.56) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL30984444 0.83 ALDH1A1 (0.60) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL29986677 0.83 ALDH1A1 (0.56) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL10672732 0.83 ALDH1A1 (0.56) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL30984472 0.83 ALDH1A1 (0.56) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL7342447 0.82 HDAC8 (0.57) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL877279 0.81 KMT2A (0.73) ALDH1A1ACHEKMT2AHSD17B10HDAC8
SCHEMBL5041554 0.81 ALDH1A1 (0.60) ALDH1A1ACHEKMT2AHSD17B10HDAC8

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
US-4399151-A USING A-SUBSTITUTERD AMINES OR A-SUBSTITUTED AMINO ACIDS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-16 US disclosed
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 US disclosed