SCHEMBL19601465

SCHEMBL19601465

C=Cc1cccccc(CC)cc2cccc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 7/20 0.34
GAA P10253 1/20 0.33
KIF11 P52732 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL7763133 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2A6GAALMNA
SCHEMBL4521095 0.72 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2A6SIGMAR1GAA
Ethylbenzene SCHEMBL6209262 0.72 TP53 (0.64) ALDH1A1CYP1A2CYP2A6TP53LMNA
SCHEMBL4516955 0.69 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2A6TP53SIGMAR1
SCHEMBL7714016 0.69 MAPT (0.36) ALDH1A1CYP1A2CYP2A6SIGMAR1POLB
Propane SCHEMBL27921273 0.69 ALDH1A1 (0.82) ALDH1A1CYP1A2LMNAMAPTKMT2A
SCHEMBL4514411 0.68 HTR7 (0.41) ALDH1A1CYP1A2CYP2A6TP53GAA
SCHEMBL1486001 0.68 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2A6GAALMNA
SCHEMBL320706 0.68 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2A6TP53SIGMAR1
SCHEMBL1058699 0.67 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2A6TP53SIGMAR1

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
WO-2017197046-A1 C3-CARBON LINKED GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2017197036-A1 SPIROCYCLIC DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed