SCHEMBL4862741

SCHEMBL4862741

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC(=O)/C=C/C(=O)OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
MAPT P10636 8/20 0.77
CYP3A4 P08684 7/20 0.77
RXRA P19793 5/20 0.77
RARA P10276 4/20 0.77
RARB P10826 4/20 0.77
RARG P13631 4/20 0.77
PTGS1 P23219 4/20 0.77
MAPK1 P28482 4/20 0.77
HIF1A Q16665 4/20 0.77
APP P05067 4/20 0.77
SNCA P37840 4/20 0.77
ALOX15 P16050 4/20 0.77
HSD17B10 Q99714 4/20 0.77
BLM P54132 3/20 0.77
LMNA P02545 3/20 0.77
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
RXRB P28702 2/20 0.77
RXRG P48443 2/20 0.77

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
SCHEMBL1362317 0.98 ALDH1A1 (0.80) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL2559042 0.96 ALDH1A1 (0.78) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL15609125 0.96 ALDH1A1 (0.78) ALDH1A1MAPTCYP3A4RXRARARA
Alcohol SCHEMBL1362664 0.93 ALDH1A1 (0.73) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL7890783 0.93 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL7523937 0.93 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL21587 0.93 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL5225545 0.93 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL11125160 0.93 ALDH1A1 (0.77) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL27679011 0.92 ALDH1A1 (0.79) ALDH1A1MAPTCYP3A4RXRARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008503496-A 2008-02-07 JP claimed
EP-1765322-A2 RETINAL DERIVATIVES AND METHODS FOR THE USE THEREOF FOR THE TREATMENT OF VISUAL DISORDERS University of Washington (US) 2007-03-28 EP claimed
WO-2006002097-A2 RETINAL DERIVATIVES AND METHODS FOR THE USE THEREOF FOR THE TREATMENT OF VISUAL DISORDERS UNIVERSITY OF WASHINGTON (US) 2006-01-05 WO claimed
US-6180670-B1 RETINYL ESTER AVON PRODUCTS, INC. 2001-01-30 US claimed
EP-0734371-B1 NOVEL RETINOID CONJUGATE COMPOUNDS AND METHODS FOR TREATING SKIN AGING AVON PROD INC (US) 2000-04-05 EP claimed
EP-0734371-A1 NOVEL RETINOID CONJUGATE COMPOUNDS AND METHODS FOR TREATING SKIN AGING AVON PRODUCTS, INC. (US) 1996-10-02 EP claimed
WO-1995016659-A1 NOVEL RETINOID CONJUGATE COMPOUNDS AND METHODS FOR TREATING SKIN AGING AVON PRODUCTS, INC. (US) 1995-06-22 WO claimed
CN-107308143-A Therapeutic scheme and method for treating or improving the dysopia relevant with endogenous retinoids shortage 诺维利昂治疗股份有限公司 2017-11-03 CN disclosed
CN-102976937-B For treating retinoid and the using method thereof of visual disorder 华盛顿大学 2016-12-21 CN disclosed