SCHEMBL23401375

SCHEMBL23401375

Cc1ccccc1-c1cc(O)n(CC(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CYP3A4 P08684 2/20 0.38
ATM Q13315 2/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL23400527 0.83 RAB9A (0.44) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23398927 0.81 RAB9A (0.42) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23401568 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ACYP1A2MAPT
SCHEMBL23399592 0.78 TLR8 (0.44) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23399729 0.77 CYP1A2 (0.41) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23400178 0.77 HPGD (0.35) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23398865 0.76 MEN1 (0.46) RAB9ATDP1SMN1; SMN2NPC1MEN1
SCHEMBL23400239 0.75 NPC1 (0.43) RAB9ASMN1; SMN2HPGDNPC1KMT2A
SCHEMBL23403457 0.74 CYP1A2 (0.44) RAB9ATDP1SMN1; SMN2HPGDNPC1
SCHEMBL23398583 0.72 LMNA (0.46) RAB9ASMN1; SMN2HPGDMEN1KMT2A

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