SCHEMBL8600220

SCHEMBL8600220

CNC(=O)COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
MAPT P10636 8/20 0.67
CYP3A4 P08684 7/20 0.67
RXRA P19793 5/20 0.67
RARA P10276 4/20 0.67
RARB P10826 4/20 0.67
RARG P13631 4/20 0.67
PTGS1 P23219 4/20 0.67
MAPK1 P28482 4/20 0.67
HIF1A Q16665 4/20 0.67
HSD17B10 Q99714 4/20 0.67
ALOX15 P16050 4/20 0.67
BLM P54132 3/20 0.67
LMNA P02545 3/20 0.67
APP P05067 3/20 0.67
SNCA P37840 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
RXRB P28702 2/20 0.67
RXRG P48443 2/20 0.67

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
SCHEMBL4903104 1.00 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL3287 1.00 ALDH1A1 (0.67) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL4784917 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL4898397 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL342021 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL342404 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL4892803 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL8631847 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL8648149 0.90 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL9580178 0.89 ALDH1A1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032839-A9 9-CIS-RETINOIC ACID ESTERS AND AMIDES AND USES THEREOF 1998-07-16 WO claimed