SCHEMBL9396263

SCHEMBL9396263

CCCCOC(=O)N(C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 4/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 2/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
EPHX1 P07099 1/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL20870669 0.84 ALDH1A1 (0.50) ALDH1A1TSHRHCAR2MEN1KMT2A
SCHEMBL10796822 0.84 SELP (0.38) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL9596409 0.83 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL11686451 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL11686455 0.82 HCAR2 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL11688963 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8908162 0.80 CHRNB2 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12522481 0.80 CHRNB2 (0.44) ALDH1A1ATMTSHRHCAR2MEN1
SCHEMBL13398589 0.79 EPHX1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10765992 0.78 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006028-B1 VAPOR PERMEATION TIME-TEMPERATURE INDICATOR DEVICE, METHOD OF MANUFACTURE AND APPLICATION THEREOF ALLIED CORPORATION (US) 1982-11-10 EP claimed
US-5357357-A Liquid crystal display devices with organic thin film formed by compressing molecules on liquid surface and transferring to substrate by horizontal lifting HITACHI, LTD. (JP) 1994-10-18 US disclosed
US-5049428-A Containing polydiacetylene OLYMPUS OPTICAL CO., LTD. (JP) 1991-09-17 US disclosed
EP-0418833-A2 Organic thin film and liquid crystal display devices with the same HITACHI, LTD. (JP) 1991-03-27 EP disclosed
WO-1991003584-A1 TECHNIQUE FOR EPITAXIAL GROWTH OF ORIENTED THIN FILMS OF POLYDIACETYLENES BELL COMMUNICATIONS RESEARCH, INC. (US) 1991-03-21 WO disclosed
EP-0239580-A4 PROCESSLESS MULTICOLOR IMAGING. GAF CORP (US) 1989-08-16 EP disclosed
EP-0239580-A1 PROCESSLESS MULTICOLOR IMAGING GAF CORPORATION (US) 1987-10-07 EP disclosed
WO-1987001825-A1 PROCESSLESS MULTICOLOR IMAGING GAF CORPORATION (US) 1987-03-26 WO disclosed