SCHEMBL8908718

SCHEMBL8908718

CCC(O)c1ccc(C(Cl)(Cl)Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PDE2A O00408 1/20 0.40
TAAR1 Q96RJ0 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1A P08908 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.38
PGR P06401 2/20 0.38
TSHR P16473 2/20 0.36
AOC3 Q16853 2/20 0.35
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 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
SCHEMBL1607138 0.82 LMNA (0.75) LMNATAAR1TDP1CYP2C9KDM4E
SCHEMBL548356 0.81 LMNA (0.56) LMNAPDE2ATAAR1TDP1CYP2C9
SCHEMBL6055239 0.81 LMNA (0.56) LMNAPDE2AHIF1AALDH1A1HTR1A
SCHEMBL7152183 0.79 TAAR1 (0.57) LMNATAAR1TDP1KDM4EHIF1A
SCHEMBL10073359 0.79 PDE2A (0.56) LMNAPDE2A
SCHEMBL478137 0.79 PDE2A (0.56) LMNAPDE2A
SCHEMBL15387995 0.79 PDE2A (0.56) LMNAPDE2A
SCHEMBL18290852 0.78 LMNA (0.52) LMNAPDE2ATDP1CYP2C9ALDH1A1
SCHEMBL3930111 0.76 LMNA (0.60) LMNATDP1HIF1ASMN1; SMN2PGR
SCHEMBL868462 0.76 LMNA (0.60) LMNATDP1HIF1ASMN1; SMN2PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779261-A1 Continuous process for racemization of benzylic alcohols, ethers, and esters by solid acid catalyst UOP (US) 1997-06-18 EP disclosed
US-5476964-A Heating and flowing enamtiomorph through acidic ion exchange resin; recycling wastes UOP (US) 1995-12-19 US disclosed