SCHEMBL19985635

SCHEMBL19985635

C=CCC1CCC(C2CCC(COc3ccc(C)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
DGAT1 O75907 1/20 0.38
HPGD P15428 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL11234530 0.84 SIGMAR1 (0.55) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL30105 0.83 PARP15 (0.44) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL8930160 0.82 PARP15 (0.55) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL2665020 0.82 PARP15 (0.55) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL10014271 0.81 HPGD (0.49) PARP15PARP10PARP2TDP1KDM1A
Ammonia Solution, Strong SCHEMBL28413630 0.81 PARP15 (0.53) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL9283085 0.80 DRD4 (0.45) PARP15PARP10PARP2SIGMAR1
SCHEMBL18867116 0.80 PARP15 (0.44) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL9283087 0.80 DRD4 (0.45) PARP15PARP10PARP2SIGMAR1
SCHEMBL11235792 0.80 CARM1 (0.46) PARP15PARP10PARP2TDP1

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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed