SCHEMBL28877103

SCHEMBL28877103

CCC(C)c1ccc(N)c(C(C)CC)c1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
RORC P51449 1/20 0.34
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9222457 0.86 TSHR (0.39) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL107810 0.84 ALDH1A1 (0.45) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL10341230 0.82 TSHR (0.37) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL117761 0.80 TSHR (0.38) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL2476981 0.78 TSHR (0.48) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL22012652 0.77 TSHR (0.36) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL11682514 0.77 TSHR (0.50) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL3650390 0.76 ALDH1A1 (0.42) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL9683779 0.76 TSHR (0.56) TSHRALDH1A1HPGDHSD17B10USP2
SCHEMBL841650 0.73 USP2 (0.38) TSHRALDH1A1HPGDHSD17B10USP2

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
CN-112384545-B Elastomeric polyurethane foams and process for producing the same 巴斯夫欧洲公司 2023-01-24 CN disclosed
CN-115260041-A Novel anti-aging agent and preparation method thereof 王兴路 2022-11-01 CN disclosed