SCHEMBL9809156

SCHEMBL9809156

c1ccc2cc(C3OCCO3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.47
SLC6A2 P23975 9/20 0.47
SLC6A3 Q01959 9/20 0.47
CYP2D6 P10635 7/20 0.47
KCNH2 Q12809 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 1/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL5329930 0.92 KDM4E (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL31546073 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14077386 0.80 CYP2A6 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL2536582 0.79 TAAR1 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL14854495 0.78 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL9911677 0.78 KDM4E (0.35) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL10452473 0.77 NPC1 (0.54) SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL10300821 0.77 TSHR (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL5852687 0.77 TSHR (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL29434698 0.77 TSHR (0.54) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031566-B2 PHOTOSENSITIVE NEGATIVE-WORKING TONABLE ELEMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
EP-0031566-B1 PHOTOSENSITIVE NEGATIVE-WORKING TONABLE ELEMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-14 EP disclosed
US-4356252-A POLYMERIC BINDER, PHOTOINITIATOR, ACETAL, PLASTICIZING, POLYMERIC ANHYDRIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-10-26 US disclosed
US-4294909-A Photosensitive negative-working toning process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-10-13 US disclosed
US-4292394-A Process for preparing multicolor toned images on a single photosensitive layer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-09-29 US disclosed
EP-0031566-A1 Photosensitive negative-working tonable element E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-07-08 EP disclosed