SCHEMBL28664019

SCHEMBL28664019

CCCCCc1c(C)cccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GPR84 Q9NQS5 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
KCNH2 Q12809 2/20 0.39
CXCR5 P32302 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LIPG Q9Y5X9 3/20 0.37
LPL P06858 2/20 0.37
P2RX7 Q99572 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL7178419 0.89 ALDH1A1 (0.52) TSHRALDH1A1CXCR5TRIM24TRIM33
SCHEMBL28690662 0.83 LIPG (0.49) GPR84HIF1AEPAS1KCNH2THRB
SCHEMBL28861107 0.83 LIPG (0.49) GPR84HIF1AEPAS1KCNH2THRB
SCHEMBL7249953 0.83 ERN1 (0.47) ALDH1A1TRIM24TRIM33MEN1KMT2A
SCHEMBL11147137 0.82 KCNH2 (0.39) TSHRGPR84KCNH2CXCR5MEN1
SCHEMBL29210937 0.81 BID (0.48) ALDH1A1TRIM24TRIM33MEN1KMT2A
SCHEMBL5530294 0.81 ALDH1A1 (0.56) TSHRALDH1A1TRIM24TRIM33MEN1
SCHEMBL9810574 0.81 HIF1A (0.49) TSHRALDH1A1GPR84HIF1AEPAS1
Hexane SCHEMBL9751213 0.81 ALDH1A1 (0.75) TSHRALDH1A1HIF1AEPAS1TRIM24
SCHEMBL17160026 0.81 KCNH2 (0.42) GPR84KCNH2CXCR5MEN1THRB

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
CN-113710785-A Compound and detergent composition 联合利华知识产权控股有限公司 2021-11-26 CN disclosed