SCHEMBL28705494

SCHEMBL28705494

C=CCCC=CCCC(=C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL42883 0.84
SCHEMBL15821600 0.78 ALDH1A1 (0.41) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL15821601 0.78 ALDH1A1 (0.41) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL15822615 0.78 ALDH1A1 (0.41) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL15822617 0.78 ALDH1A1 (0.41) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL22811155 0.78 ALDH1A1 (0.41) TSHRALDH1A1USP2LMNACYP3A4
SCHEMBL8852428 0.77
SCHEMBL13778440 0.77
SCHEMBL6550083 0.77 TSHR (0.35) TSHRALDH1A1TP53USP2LMNA
SCHEMBL347377 0.76

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-110423191-B Synthesis method of terminal carboxylic acid 常州大学 2022-03-29 CN disclosed