Sugi Predict

Sugi Predict / Compounds / SCHEMBL10010171

SCHEMBL10010171

SCHEMBL10010171

CCCCCCCCOC(=O)/C(=C(\C(=O)OCCCCCCCC)C1CCCC1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ NAAA Q02083 6/20 0.49
▸ EPHX2 P34913 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ CES2 O00748 1/20 0.41

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
SCHEMBL10011297 1.00 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10010175 1.00 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10011303 1.00 TSHR (0.50) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10011639 0.98 TSHR (0.51) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10011636 0.98 TSHR (0.51) TSHRNAAAEPHX2RAD52NPSR1
SCHEMBL10009656 0.93 ALDH1A1 (0.44) TSHRNAAAEPHX2
SCHEMBL5612366 0.93 ALDH1A1 (0.44) TSHRNAAAEPHX2
SCHEMBL5612371 0.93 ALDH1A1 (0.44) TSHRNAAAEPHX2
SCHEMBL10009658 0.93 ALDH1A1 (0.44) TSHRNAAAEPHX2
SCHEMBL10009473 0.91 ALDH1A1 (0.45) TSHRNAAAEPHX2

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
US-20120172551-A1 SOLID CATALYST FOR PROPYLENE POLYMERIZATION AND A METHOD FOR PREPARATION OF POLYPROPYLENE USING THE SAME SAMSUNG TOTAL PETROCHEMICALS CO., LTD. (KR) 2012-07-05 — — US disclosed