SCHEMBL8999022

SCHEMBL8999022

O=Cc1ccc(/C(=C/C(=O)O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.42
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
CYP2C9 P11712 1/20 0.36
ESR1 P03372 1/20 0.36
P2RX7 Q99572 1/20 0.36
CXCL12 P48061 1/20 0.36
UNG P13051 1/20 0.35
JAK2 O60674 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34

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
SCHEMBL8999028 1.00 TSHR (0.47) TSHRALDH1A1ERCC5FEN1CYP2C9
SCHEMBL8999026 1.00 TSHR (0.47) TSHRALDH1A1ERCC5FEN1CYP2C9
SCHEMBL8937476 0.81 KMT2A (0.54) TSHRALDH1A1P2RX7
SCHEMBL8937477 0.81 KMT2A (0.54) TSHRALDH1A1P2RX7
SCHEMBL8937474 0.81 KMT2A (0.54) TSHRALDH1A1P2RX7
SCHEMBL7218671 0.75 ALDH1A1 (0.53) TSHRALDH1A1ERCC5FEN1PKM
SCHEMBL8297430 0.72 TSHR (0.60) TSHRALDH1A1ERCC5FEN1CYP2C9
SCHEMBL8937417 0.69 KMT2A (0.64) ALDH1A1SMN1; SMN2
SCHEMBL8937423 0.69 KMT2A (0.64) ALDH1A1SMN1; SMN2
SCHEMBL8937427 0.69 KMT2A (0.64) ALDH1A1SMN1; SMN2

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
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed