SCHEMBL21364084

SCHEMBL21364084

Cc1ccc2c(c1)C1(c3cc(C)ccc3C2=O)c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.58
PDK2 Q15119 3/20 0.50
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNQ2 O43526 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
METAP1 P53582 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
SCHEMBL12619538 1.00 ELANE (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL30501024 1.00 ELANE (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL29056146 1.00 ELANE (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL7619444 0.91 PDK2 (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL30004202 0.91 PDK2 (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL19013527 0.91 PDK2 (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL18880905 0.91 PDK2 (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL30501018 0.89 ELANE (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL29056150 0.89 ELANE (0.58) ELANEPDK2MAPTSMN1; SMN2RAB9A
SCHEMBL16389545 0.85 CSNK1G1 (0.50) ELANEPDK2MAPTSMN1; SMN2RAB9A

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-20190284334-A1 POLY (SPIROBIFLUORENE) AND ORGANIC ELECTROLUMINESCENT DEVICE CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2019-09-19 US disclosed