SCHEMBL11035277

SCHEMBL11035277

CC1(C)CC(N2C(=O)c3ccccc3C2=O)CC(C)(N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 2/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AVPR2 P30518 4/20 0.34
AVPR1A P37288 4/20 0.34

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
SCHEMBL10881713 0.77 CYP1A2 (0.40) TSHRALDH1A1CYP1A2TDP1CYP2C9
SCHEMBL9625632 0.76 ALDH1A1 (0.46) TSHRALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL13297938 0.73 TSHR (0.41) TSHRALDH1A1L3MBTL1MEN1GAA
SCHEMBL3048785 0.73 ALDH1A1 (0.45) TSHRALDH1A1L3MBTL1MEN1GAA
SCHEMBL11576525 0.73 IDH1 (0.42) TSHRALDH1A1L3MBTL1CYP1A2CHRM2
SCHEMBL11575435 0.73 IDH1 (0.42) TSHRALDH1A1L3MBTL1CYP1A2CHRM2
SCHEMBL15977374 0.72 ALDH1A1 (0.46) TSHRALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL15200389 0.72 TSHR (0.41) TSHRALDH1A1L3MBTL1KMT2ACYP1A2
SCHEMBL17033019 0.71 ALDH1A1 (0.42) ALDH1A1CYP1A2DDB1CRBNCYP2C9
SCHEMBL19385829 0.71 KMT2A (0.38) TSHRALDH1A1KMT2ACYP1A2CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59059206-A None JP disclosed
JP-S5959206-A PERMSELECTIVE HOLLOW YARN MEMBRANE TEIJIN LTD 1984-04-05 JP disclosed