SCHEMBL8098335

SCHEMBL8098335

CCOC(=O)c1ccc(C(=O)Nc2nccc(C(C)(C)C)c2C(C)(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
BRAF P15056 4/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ELANE P08246 1/20 0.37
PRTN3 P24158 1/20 0.37

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
SCHEMBL6675739 0.76 SMN1; SMN2 (0.44) KMT2APOLBL3MBTL1KDM4EMEN1
SCHEMBL6676941 0.76 TRPA1 (0.47) KMT2APOLBL3MBTL1KDM4EMEN1
SCHEMBL4397164 0.75 HDAC1 (0.58) HTTKMT2APOLBL3MBTL1KDM4E
SCHEMBL6674068 0.75 POLB (0.46) HTTKMT2APOLBL3MBTL1KDM4E
SCHEMBL6674764 0.72 POLB (0.45) HTTKMT2APOLBL3MBTL1KDM4E
SCHEMBL11706325 0.70 CA12 (0.45) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL3567620 0.68 MEN1 (0.53) HTTKMT2APOLBL3MBTL1KDM4E
SCHEMBL7222675 0.67 TSHR (0.53) KMT2APOLBL3MBTL1KDM4EMEN1
SCHEMBL16675446 0.65 HTT (0.69) HTTKMT2APOLBL3MBTL1KDM4E
SCHEMBL7158029 0.65 RARA (0.67) KMT2APOLBL3MBTL1MEN1ALDH1A1

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-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed