SCHEMBL30948922

SCHEMBL30948922

CCCCCCC(CCCC)CCCCCCCCCNCCCC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.46
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
EPHX1 P07099 4/20 0.43
ADH1B P00325 3/20 0.43
ADH1C P00326 3/20 0.43
ADH1A P07327 3/20 0.43
ADH7 P40394 3/20 0.43
ADH4 P08319 2/20 0.43
DNM1 Q05193 2/20 0.42
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39

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
SCHEMBL22943343 0.95 TSHR (0.65) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL20162257 0.95 TSHR (0.65) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL19462554 0.93 TSHR (0.62) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL23131709 0.91 TSHR (0.59) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL115867 0.91 TSHR (0.52) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL20427832 0.89 TSHR (0.56) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL22744845 0.89 ALDH1A1 (0.56) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL8503358 0.87 ALDH1A1 (0.54) TSHRALDH1A1LMNACYP3A4S1PR2
SCHEMBL21410771 0.86 ALDH1A1 (0.59) TSHRALDH1A1LMNACYP3A4S1PR2
Hydrochloric Acid SCHEMBL11826409 0.86 ALDH1A1 (0.52) TSHRALDH1A1LMNACYP3A4S1PR2

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-117987211-A Radioactive decontamination foam-based eutectic solvent and preparation method and application thereof 清华大学 2024-05-07 CN disclosed