SCHEMBL5138342

SCHEMBL5138342

C=C(C)C(=O)OC(=O)CCCCC(=O)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 6/20 0.41
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.36
DGKA P23743 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.33
PAM P19021 2/20 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
SCHEMBL3808863 0.98 TSHR (0.44) ALDH1A1TSHRTHRBLMNADGKA
SCHEMBL5520287 0.95 TSHR (0.44) ALDH1A1TSHRTHRBLMNADGKA
Ethylene Glycol SCHEMBL11116195 0.94 ALDH1A1 (0.39) ALDH1A1TSHRTHRBLMNADGKA
SCHEMBL11309574 0.92 TSHR (0.53) ALDH1A1TSHRLMNADGKAPAM
SCHEMBL27603610 0.92 ALDH1A1 (0.38) ALDH1A1TSHRTHRBLMNADGKA
SCHEMBL895687 0.90 ALDH1A1 (0.48) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL23494388 0.90 TSHR (0.56) ALDH1A1TSHRLMNADGKAHSD17B10
SCHEMBL761852 0.90 TSHR (0.56) ALDH1A1TSHRLMNADGKAHSD17B10
SCHEMBL3951614 0.90 TSHR (0.56) ALDH1A1TSHRLMNADGKAHSD17B10
SCHEMBL2723395 0.90 TSHR (0.56) ALDH1A1TSHRLMNADGKAHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112126389-A Plasticizer migration resistant aqueous pressure-sensitive adhesive and preparation method thereof 杭州英创新材料有限公司 2020-12-25 CN claimed
WO-2008052265-A1 A PROTHROMBOGENIC BIOMATERIAL FOR TISSUE REPAIR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2008-05-08 WO claimed
WO-2008052265-A1 A PROTHROMBOGENIC BIOMATERIAL FOR TISSUE REPAIR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2008-05-08 WO disclosed