SCHEMBL28503448

SCHEMBL28503448

CC(C)=CCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.43
GPR84 Q9NQS5 1/20 0.43
ESRRG P62508 4/20 0.41
SLC13A5 Q86YT5 2/20 0.41
ESRRB O95718 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TYR P14679 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GRIA4 P48058 1/20 0.39

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
SCHEMBL22394385 0.84 TP53 (0.45) KCNH2LMNAGPR84ESRRGSLC13A5
SCHEMBL3079938 0.78 CYP1A2 (0.46) TRPV1KCNH2GPR84
SCHEMBL9633727 0.78 NOS3 (0.39) TRPV1TSHR
SCHEMBL107820 0.78 ESR1 (0.54) LMNATP53SIGMAR1
SCHEMBL7456580 0.76 KCNH2 (0.59) KCNH2LMNAGPR84ESRRGSLC13A5
SCHEMBL9633317 0.76 ALDH1A1 (0.36) TRPV1TSHR
SCHEMBL1612731 0.76 KCNH2 (0.47) KCNH2LMNAGPR84ESRRGSLC13A5
SCHEMBL1864936 0.76 TP53 (0.52) KCNH2LMNAGPR84ESRRGSLC13A5
SCHEMBL66122 0.76 TP53 (0.52) KCNH2LMNAGPR84ESRRGSLC13A5
SCHEMBL8955897 0.76 KCNH2 (0.47) KCNH2LMNAGPR84ESRRGSLC13A5

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-105849121-B Polypeptides having lipase activity and polynucleotides encoding same 诺维信公司 2020-12-29 CN disclosed