SCHEMBL23948507

SCHEMBL23948507

CNC(=O)CCC1(C)C(C)=C(C)C(C)=C1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCL1 Q07820 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
SCHEMBL23948566 0.81 ALDH1A1 (0.38) LMNATDP1
SCHEMBL18925533 0.68 LMNA (0.43) LMNAPOLBTDP1MCL1
SCHEMBL20180713 0.68 LMNA (0.43) LMNAPOLBTDP1MCL1
SCHEMBL3660629 0.67 LMNA (0.63) LMNAPOLBTDP1MCL1
SCHEMBL23948493 0.65 SLC6A5 (0.46) LMNA
SCHEMBL8689460 0.64 LMNA (0.39) LMNAPOLBTDP1CYP1A2CYP2C9
SCHEMBL20708377 0.64 LMNA (0.39) LMNAPOLBTDP1MCL1
SCHEMBL93970 0.63
SCHEMBL5909180 0.62 LMNA (0.57) LMNAPOLBMCL1
SCHEMBL7753090 0.62 LMNA (0.57) LMNAPOLBMCL1

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
WO-2021211984-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2021-10-21 WO disclosed