SCHEMBL23402248

SCHEMBL23402248

Cc1ccc(-c2c(CC(C)C)c(O)nn2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
DPP4 P27487 6/20 0.34
DPP8 Q6V1X1 2/20 0.34
GRM5 P41594 1/20 0.34
DPP9 Q86TI2 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL23403690 0.86 RECQL (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL23401349 0.84 HTR2A (0.43) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL23401220 0.83 TGFBR1 (0.36) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL23401589 0.83 ESR1 (0.34) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL23399628 0.83 GRM5 (0.39) MAPTALDH1A1NPC1KMT2ACYP2C19
SCHEMBL23402374 0.82 MAPT (0.44) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL23401893 0.82 MAPT (0.37) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL23403302 0.82 DPP4 (0.33) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL23402466 0.81 HTT (0.34) MAPTALDH1A1HPGDMEN1NPC1
SCHEMBL23400904 0.80 ESR1 (0.47) MAPTALDH1A1MEN1NPC1RAB9A

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