SCHEMBL29216797

SCHEMBL29216797

CCC(C)N(c1ccccc1C)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 3/20 0.36
ACHE P22303 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL22994872 0.82 SLC6A2 (0.43) LMNACYP3A4TSHRACHESIGMAR1
SCHEMBL14930912 0.80 LMNA (0.39) LMNACYP3A4TSHRACHESIGMAR1
SCHEMBL2038945 0.78 ACHE (0.43) LMNACYP3A4TSHRACHESIGMAR1
SCHEMBL8824194 0.78 ALDH1A1 (0.35) LMNACYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL9762463 0.75 LMNA (0.37) LMNACYP3A4TSHRACHESIGMAR1
SCHEMBL21674619 0.74 LMNA (0.46) LMNACYP3A4TSHRALDH1A1TRPM8
SCHEMBL2124908 0.74 TSHR (0.39) LMNACYP3A4TSHRACHESIGMAR1
SCHEMBL28726144 0.73 CYP3A4 (0.45) CYP3A4TSHRALDH1A1TDP1
SCHEMBL20739911 0.72 ALDH1A1 (0.31) LMNACYP3A4ALDH1A1TP53
SCHEMBL2476976 0.71 ALDH1A1 (0.43) LMNATSHRSIGMAR1ALDH1A1SLC6A2

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
CN-118079881-A Filtering material for removing acidic gas and preparation method thereof 嘉兴富瑞邦新材料科技有限公司 2024-05-28 CN disclosed