SCHEMBL30089997

SCHEMBL30089997

O=CCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(CC=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.41
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S100A4 P26447 1/20 0.32
POLB P06746 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
SCHEMBL5847284 0.78 PDK2 (0.42) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL23655327 0.78 PDK2 (0.61) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5487698 0.78 PDK2 (0.42) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5846726 0.78 PDK2 (0.63) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5848508 0.77 PDK2 (0.50) PDK2KDM4EALDH1A1RAB9A
SCHEMBL14691084 0.76 PDK2 (0.33) PDK2
SCHEMBL16346749 0.74 ALDH1A1 (0.41) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5846694 0.74 ALDH1A1 (0.41) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL16346844 0.74 ALDH1A1 (0.41) PDK2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL16995983 0.74 HTR7 (0.47) PDK2KMT2AALDH1A1TSHR

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-11535703-B2 Methanesulfonic acid mediated solvent free synthesis of conjugated porous polymer networks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-12-27 US disclosed