SCHEMBL22748640

SCHEMBL22748640

CCCCCCCCCCC(C)(C)CCO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
GGPS1 O95749 6/20 0.41
FDPS P14324 9/20 0.40
THRB P10828 1/20 0.40
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL7645383 1.00 LMNA (0.50) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL22748685 1.00 LMNA (0.50) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL1658760 1.00 LMNA (0.50) LMNAALDH1A1TSHRHSD17B10MEN1
Ammonia Solution, Strong SCHEMBL27553300 0.98 LMNA (0.48) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL1657127 0.97 SMN1; SMN2 (0.48) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL31339077 0.90 LMNA (0.65) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL1657973 0.90 ALDH1A1 (0.45) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL20026795 0.88 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL1657812 0.87 SMN1; SMN2 (0.63) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL20856500 0.87 TSHR (0.53) TSHRGGPS1FDPSTHRBFFAR1

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