SCHEMBL10588286

SCHEMBL10588286

CCC1(c2ccccc2)OC1COCC1OC1(CC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL11768781 0.83 OPRM1 (0.37) MEN1KMT2ATDP1
SCHEMBL28414033 0.80 HCAR3 (0.37) HCAR3HCAR2MEN1CYP1A2POLB
SCHEMBL7145685 0.77 TDP1 (0.41) MEN1TSHRKMT2ATDP1GRIN1
SCHEMBL8971038 0.70 CYP3A4 (0.33) CYP3A4MAPK1
SCHEMBL28193546 0.69 CHRNB2 (0.36) MEN1CYP1A2KMT2ASMN1; SMN2CYP3A4
SCHEMBL28585875 0.68 HCAR3 (0.43) HCAR3HCAR2MEN1CYP1A2POLB
SCHEMBL9692301 0.67 HTT (0.45) HCAR3HCAR2MEN1POLBTSHR
SCHEMBL14967939 0.66 TSHR (0.48) HCAR3HCAR2MEN1CYP1A2TSHR
SCHEMBL14967432 0.65 ELANE (0.38) HCAR3HCAR2POLBTSHRTDP1
SCHEMBL27171590 0.64 KDM1A (0.37) HCAR3HCAR2MEN1CYP1A2POLB

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
EP-0324569-A2 Process for preparing functionalized polymeric compositions ROHM AND HAAS COMPANY (US) 1989-07-19 EP disclosed