SCHEMBL20901940

SCHEMBL20901940

CCCOC12CC3CC(C1)OC(=O)C(C3)C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NAAA Q02083 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL18893181 0.90 NAAA (0.33) SMN1; SMN2TSHRNPSR1NAAA
SCHEMBL12414982 0.90 NAAA (0.33) SMN1; SMN2TSHRNPSR1NAAA
SCHEMBL19287396 0.84 TSHR (0.32) TSHRNPSR1NAAA
SCHEMBL12284603 0.84 TSHR (0.32) TSHRNPSR1NAAA
SCHEMBL12287460 0.84 TSHR (0.35) TSHRNPSR1NAAA
SCHEMBL12287494 0.84 TSHR (0.32) TSHRNPSR1NAAA
SCHEMBL10228454 0.83 MAPT (0.31) TSHRNPSR1NAAA
SCHEMBL17236488 0.82 NPSR1 (0.33) TSHRALDH1A1NPSR1MEN1HTT
SCHEMBL14648959 0.82 TSHR (0.38) TSHRNPSR1NAAA
SCHEMBL17754233 0.81 NPSR1 (0.32) TSHRALDH1A1NPSR1MEN1HTT

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
EP-3007004-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-17 EP disclosed