SCHEMBL24495698

SCHEMBL24495698

COC(=O)C1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
HPGD P15428 2/20 0.59
UBE2M P61081 1/20 0.59
DCUN1D1 Q96GG9 1/20 0.59
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TP53 P04637 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSD11B1 P28845 1/20 0.52
GLA P06280 1/20 0.52
MGLL Q99685 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10724061 0.84 TSHR (0.78) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL10720174 0.82 TSHR (0.63) TSHRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL16309014 0.81 TSHR (0.58) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL20116458 0.78 TSHR (0.66) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL19088586 0.78 HPGD (0.74) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL15499084 0.78 HPGD (0.75) TSHRHPGDALDH1A1MEN1KMT2A
SCHEMBL12471546 0.78 TSHR (0.58) TSHRALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL3660045 0.78 TSHR (0.69) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2835506 0.77 TSHR (0.68) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL19088577 0.77 HPGD (0.73) TSHRHPGDALDH1A1MEN1KMT2A

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-2022118966-A1 AGENT FOR PROMOTING NUCLEIC ACID MOLECULE UPTAKE INTO CELLS, PHARMACEUTICAL COMPOSITION, AND NOVEL COMPOUND 国立大学法人京都大学 2022-06-09 WO disclosed