SCHEMBL9808707

SCHEMBL9808707

CCOc1c(OCCO)ccc(C(C)=O)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYSLTR2 Q9NS75 11/20 0.41
▸ CYSLTR1 Q9Y271 11/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CREBBP Q92793 1/20 0.39

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
SCHEMBL10498173 0.89 TSHR (0.55) LMNAMAPTL3MBTL1KDM4EKMT2A
SCHEMBL10798066 0.84 GAA (0.60) LMNAMAPTL3MBTL1KDM4EGAA
SCHEMBL3337603 0.81 KDM4E (0.48) LMNAMAPTL3MBTL1KDM4EGAA
SCHEMBL15154811 0.76 HSD17B10 (0.46) LMNAMAPTL3MBTL1KDM4ECYP3A4
SCHEMBL6896319 0.75 TSHR (0.50) LMNAMAPTL3MBTL1KDM4EKMT2A
SCHEMBL8352520 0.73 PDE4D (0.43) LMNAL3MBTL1KDM4ECYP3A4TSHR
SCHEMBL27870043 0.73 PDE4D (0.46) L3MBTL1KDM4ECYP3A4TSHRSMN1; SMN2
SCHEMBL690705 0.73 CYP3A4 (0.53) LMNAMAPTL3MBTL1KDM4EGAA
SCHEMBL13576752 0.73 IDO1 (0.58) LMNAMAPTL3MBTL1KDM4EKMT2A
SCHEMBL5391790 0.73 TSHR (0.49) LMNAMAPTL3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 — — EP claimed
WO-1986005778-A1 PHOTO-INITIATORS FOR PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 — — WO claimed
US-5045573-A Alkanophenones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-09-03 — — US disclosed
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 — — EP disclosed
US-4861916-A Photoinitiators for photopolymerization of unsaturated systems MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-08-29 — — US disclosed
Send feedback