SCHEMBL31001027

SCHEMBL31001027

Cc1ccc(C)c2c(C)c3ccccc3c(C)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.58
TSHR P16473 5/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2A6 P11509 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HIF1A Q16665 3/20 0.50
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
CASP1 P29466 2/20 0.50
RAB9A P51151 2/20 0.50
CASP7 P55210 2/20 0.50
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 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
SCHEMBL7506419 0.84 TSHR (0.56) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL20375922 0.81 TSHR (0.56) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL21637598 0.81 HTT (0.47) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL31001021 0.79 TSHR (0.52) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL29379467 0.77 CYP1A2 (0.56) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL377040 0.77 CYP1A2 (0.56) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL31001026 0.77 CYP1A2 (0.39) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL18013749 0.74 CYP3A4 (0.53) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL30620970 0.74 CYP1A2 (0.48) CYP1A2TSHRCYP3A4CYP2A6HPGD
SCHEMBL161370 0.74 CYP1A2 (1.00) CYP1A2TSHRCYP3A4CYP2A6HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235507-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-11-21 WO disclosed
WO-2024160834-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-08-08 WO disclosed