SCHEMBL22748746

SCHEMBL22748746

CCCCCCCCCCCCC(C)(C)CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
CPT2 P23786 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
POLB P06746 1/20 0.43
POLA1 P09884 1/20 0.43
SMPD1 P17405 3/20 0.42
EPHX1 P07099 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL22748621 1.00 FFAR1 (0.50) FFAR1CPT2TDP1MEN1KMT2A
SCHEMBL1114707 1.00 FFAR1 (0.50) FFAR1CPT2TDP1MEN1KMT2A
SCHEMBL27403262 0.92 FFAR1 (0.43) FFAR1CPT2TDP1MEN1KMT2A
SCHEMBL14925256 0.85 FFAR1 (0.73) FFAR1CPT2TDP1MEN1KMT2A
SCHEMBL20711057 0.85 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL20457437 0.85 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL14627982 0.85 MEN1 (0.50) MEN1KMT2AHPGDRECQLHSD17B10
SCHEMBL6988854 0.84 TSHR (0.40) FFAR1CPT2TDP1MEN1KMT2A
SCHEMBL21015892 0.83 TSHR (0.50) LMNACA12CA14CA2CA7
SCHEMBL10259053 0.83 FFAR1 (0.48) FFAR1CPT2TDP1MEN1KMT2A

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-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed