SCHEMBL30355002

SCHEMBL30355002

CCCCCCCCC1(P(C2(CCCCCCCC)C=CC=C2)C2(CCCCCCCC)C=CC=C2)C=CC=C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
DNM1 Q05193 7/20 0.32
APAF1 O14727 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL30354999 1.00 TSHR (0.36) TSHRTHRBMMP2MMP3MMP9
SCHEMBL30355003 0.70 TSHR (0.38) TSHRTHRBDNM1APAF1HSP90AA1
Hydrochloric Acid SCHEMBL31695901 0.67 TSHR (0.35) TSHRTHRBDNM1APAF1HSP90AA1
SCHEMBL31261899 0.62 TSHR (0.33) TSHRTHRB
Tetradecane SCHEMBL25387874 0.60 TSHR (1.00) TSHRTHRBDNM1
Tetradecane SCHEMBL23924271 0.60 TSHR (1.00) TSHRTHRBDNM1
Hexadecane SCHEMBL2039121 0.60 TSHR (1.00) TSHRTHRBDNM1
Decane SCHEMBL23499900 0.60 TSHR (1.00) TSHRTHRBDNM1
Decane SCHEMBL3666565 0.60 TSHR (1.00) TSHRTHRBDNM1
Heptane SCHEMBL9167308 0.60 TSHR (1.00) TSHRTHRBDNM1

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-111606955-B Metal organic phosphine complex and preparation method and application thereof 长春三友智造科技发展有限公司 2023-05-02 CN disclosed