SCHEMBL28339751

SCHEMBL28339751

CC1(C)C(C(=O)O)C1(Cc1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
ADRA2A P08913 1/20 0.45
CNR1 P21554 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGES O14684 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CETP P11597 1/20 0.41
FFAR1 O14842 7/20 0.41
CCR8 P51685 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL10829209 0.82 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8856826 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5854396 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5043710 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527657 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL23824720 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL8210825 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL9020889 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL1527655 0.81 TDP1 (0.54) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6866513 0.81 PTGES (0.45) TDP1LMNAADRA2ACNR1ATM

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-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN disclosed