SCHEMBL9474246

SCHEMBL9474246

CC(=O)OC1CCC(c2ccc(I)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
ESR2 Q92731 2/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
SLC6A2 P23975 4/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9474242 1.00 SLC18A3 (0.40) SLC18A3PTPN2PTPN1ESR2SLC6A4
SCHEMBL8725355 0.95 SLC18A3 (0.37) SLC18A3PTPN2PTPN1ESR2SLC6A4
SCHEMBL8725353 0.95 SLC18A3 (0.37) SLC18A3PTPN2PTPN1ESR2SLC6A4
SCHEMBL8725348 0.95 SLC18A3 (0.37) SLC18A3PTPN2PTPN1ESR2SLC6A4
SCHEMBL4558845 0.85 ESR2 (0.55) ESR2CYP2C9
SCHEMBL5246202 0.85 ESR2 (0.55) ESR2CYP2C9
SCHEMBL5438599 0.83 ALDH1A1 (0.45) SLC18A3ESR2NPC1RAB9ACYP2C9
SCHEMBL28002067 0.83 HSD17B1 (0.45) SLC18A3SLC6A3CYP2C9
SCHEMBL27598297 0.83 CYP2C9 (0.41) SLC18A3ESR2RAB9ACYP2C9
SCHEMBL8384792 0.83 SLC18A3 (0.55) SLC18A3NPC1RAB9A

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
US-5202055-A Liquid crystals CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0360080-B1 AN ALKENYL ETHER COMPOUND AND A COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1993-03-03 EP disclosed
EP-0360080-A1 An alkenyl ether compound and a composition containing the same CHISSO CORPORATION (JP) 1990-03-28 EP disclosed