SCHEMBL23401155

SCHEMBL23401155

CCCc1c(O)nn(-c2ccccc2)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GMNN O75496 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 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
SCHEMBL23399084 0.92 USP2 (0.41) USP2ALDH1A1GAATSHRLMNA
SCHEMBL23401015 0.88 ALDH1A1 (0.41) USP2ALDH1A1GAATSHRKDM4E
SCHEMBL23400985 0.87 TP53 (0.41) USP2ALDH1A1TSHRKDM4ELMNA
SCHEMBL23403612 0.85 ALDH1A1 (0.40) USP2ALDH1A1GAAKDM4ELMNA
SCHEMBL23398393 0.84 P2RX7 (0.40) ALDH1A1GAATSHRLMNACYP1A2
SCHEMBL23402632 0.83 PDE4D (0.39) USP2ALDH1A1TSHRKDM4ELMNA
SCHEMBL23399668 0.82 ALDH1A1 (0.36) USP2ALDH1A1TSHRMAPTMAPK1
SCHEMBL23399805 0.80 NPC1 (0.52) USP2ALDH1A1TSHRKDM4ELMNA
SCHEMBL23401740 0.80 USP2 (0.46) USP2ALDH1A1GAATSHRKDM4E
SCHEMBL23400452 0.79 USP2 (0.45) USP2ALDH1A1GAATSHRKDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed