SCHEMBL9844561

SCHEMBL9844561

CCCCCCCCCCC(CC)C(OP(OC(c1ccc(C(C)(C)C)cc1C(C)(C)C)(c1ccc(C(C)(C)C)cc1C(C)(C)C)C(CC)CCCCCCCCCC)OC(c1ccc(C(C)(C)C)cc1C(C)(C)C)(c1ccc(C(C)(C)C)cc1C(C)(C)C)C(CC)CCCCCCCCCC)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.34
GAA P10253 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
PGR P06401 1/20 0.30
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
RORB Q92753 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
SCHEMBL9844465 1.00 GHSR (0.34) GHSRGAAXBP1ATMNPSR1
SCHEMBL9844540 0.88 CNR1 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9844377 0.88 CNR1 (0.32) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL6058692 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL6058715 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL134529 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL6058548 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL9844455 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL9844473 0.88 GHSR (0.33) GHSRGAAXBP1ATMNPSR1
SCHEMBL6704353 0.82 ATM (0.33) GAAXBP1ATMNPSR1L3MBTL1

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
EP-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed