SCHEMBL26045652

SCHEMBL26045652

COc1ccc(C2CCC(C3CCC(C4CCCCC4)CC3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
KMT2A Q03164 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HTR2C P28335 3/20 0.34
USP30 Q70CQ3 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL12075626 1.00 ABCB1 (0.38) ABCB1ALOX5APFEN1KMT2APTGDR2
SCHEMBL20273235 1.00 ABCB1 (0.38) ABCB1ALOX5APFEN1KMT2APTGDR2
SCHEMBL15684609 0.90 ALOX5AP (0.42) ABCB1ALOX5APFEN1KMT2APTGDR2
SCHEMBL12994249 0.88 HTR2C (0.41) ABCB1ALOX5APFEN1HTR2CUSP30
SCHEMBL172469 0.88 HTR2C (0.34) ALOX5APFEN1ALDH1A1HTR2CUSP30
SCHEMBL19452846 0.86 CCNT1 (0.40) ALOX5APFEN1CCNT1CDK9HTR2C
SCHEMBL18949939 0.85 PTGDR2 (0.37) KMT2APTGDR2MEN1KDM4ENPC1
SCHEMBL19986371 0.84 FEN1 (0.44) ALOX5APFEN1PTGDR2KDM4ENPC1
SCHEMBL23996082 0.84 PDE5A (0.36) ALOX5APFEN1KMT2AMEN1ALDH1A1
SCHEMBL16426176 0.84 USP30 (0.34) KMT2AMEN1NPC1RAB9AHTR2C

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-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed