SCHEMBL28919783

SCHEMBL28919783

CC(C)CCCCCCOc1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 3/20 0.59
PTK2B Q14289 1/20 0.59
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
NR1I2 O75469 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PTPN11 Q06124 1/20 0.50
RARB P10826 1/20 0.50

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
SCHEMBL4611032 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL9410785 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL1735788 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL8850111 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL9954542 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL9410810 1.00 HTT (0.60) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL7998596 0.94 HTT (0.63) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL9787495 0.92 HTT (0.58) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL568543 0.89 HTT (0.74) HTTALDH1A1KMT2APTK2BKDM4E
SCHEMBL29829739 0.89 HTT (0.74) HTTALDH1A1KMT2APTK2BKDM4E

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-110194724-B Compound containing diphenylmethane structure and application thereof 广州同隽医药科技有限公司 2021-07-16 CN disclosed