SCHEMBL26149447

SCHEMBL26149447

CSC1c2ccccc2CCC1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PIN1 Q13526 2/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CHRM4 P08173 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
SRD5A1 P18405 2/20 0.38
GAA P10253 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL26148284 0.85 GABRA1 (0.44) POLBMTNR1AMTNR1BIDO1GAA
SCHEMBL9147702 0.83 POLB (0.45) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL8760547 0.83 POLB (0.45) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL8760542 0.83 POLB (0.45) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL8760557 0.83 POLB (0.45) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL8923231 0.82 POLB (0.51) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL11743840 0.82 POLB (0.44) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL26148678 0.81 POLB (0.46) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL26148677 0.81 POLB (0.46) POLBPIN1MTNR1AMTNR1BCHRM4
SCHEMBL817976 0.76 IDO1 (0.56) POLBPIN1CHRM4DRD2HTR7

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-2023091957-A1 PEPTIDE CONJUGATES OF PEPTIDIC TUBULIN INHIBITORS AS THERAPEUTICS CYBREXA 4, INC. (US) 2023-05-25 WO disclosed