SCHEMBL31455995

SCHEMBL31455995

CCCc1cccc(CC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KIF11 P52732 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MGLL Q99685 1/20 0.42
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL589019 1.00 TP53 (0.48) TP53CNR1CNR2KIF11MEN1
SCHEMBL380954 0.92 CNR1 (0.50) TP53CNR1CNR2KIF11MEN1
SCHEMBL9490025 0.90 TP53 (0.52) TP53MEN1KMT2ACYP1A2CYP2A6
SCHEMBL25380703 0.89 BCL2 (0.53) TP53CNR1CNR2KIF11CTSS
SCHEMBL166894 0.87 TP53 (0.61) TP53KIF11CYP1A2CYP2A6MGLL
Phenol SCHEMBL28310231 0.86 DRD2 (0.53) TP53CNR1CNR2KIF11DRD2
SCHEMBL12510875 0.86 LPL (0.52) TP53LPLLIPG
SCHEMBL5424543 0.85 MTNR1A (0.47) CNR1CNR2KIF11MEN1KMT2A
SCHEMBL18165028 0.84 BCHE (0.46) KIF11CYP1A2DRD2DRD1DRD4
SCHEMBL2461558 0.84 LPL (0.59) LPLLIPG

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
WO-2025072511-A1 TAILORING NON-EQUILIBRIUM PATHWAYS FOR THE SELECTIVE FORMATION OF INTERMEDIATE COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-04-03 WO disclosed