SCHEMBL2579268

SCHEMBL2579268

CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
ALOX15 P16050 3/20 0.59
RECQL P46063 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 1/20 0.59
PTGS1 P23219 4/20 0.52
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RXRA P19793 8/20 0.48
RARA P10276 5/20 0.48
RARB P10826 5/20 0.48
RARG P13631 5/20 0.48
RXRB P28702 3/20 0.48
RXRG P48443 3/20 0.48
RORC P51449 2/20 0.48
CYP3A4 P08684 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
MAPK1 P28482 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL10952287 0.96 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL10952289 0.96 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL28352153 0.96 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL9665397 0.83 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL9665389 0.83 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11046739 0.83 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11946653 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL15609254 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL12494392 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11858480 0.79 ALDH1A1 (0.43) ALDH1A1ALOX15RECQLHSD17B10TDP1

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
US-10668039-B2 Methods for treatment of adenoid cystic carcinoma THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-06-02 US disclosed
US-20190192468-A1 METHODS FOR TREATMENT OF ADENOID CYSTIC CARCINOMA THE CHILDREN'S MEDICAL CENTER CORPORATION 2019-06-27 US disclosed
WO-2013174835-A1 METHODS FOR SCREENING A CANDIDATE COMPOUND FOR ITS PHARMACOLOGY ON A NUCLEAR RECEPTOR INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2013-11-28 WO disclosed
US-8048918-B2 Prevent retinoid binding; antiaging agents; activation cell differentiation VAMPEX LIMITED (GB) 2011-11-01 US disclosed
US-20030119715-A1 Treatment of hyperproliferative diseases VAMPEX LIMITED (GB) 2003-06-26 US disclosed
US-5702914-A GENETIC ENGINEERING; BIOASSAY THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1997-12-30 US disclosed