SCHEMBL31745477

SCHEMBL31745477

CCc1ccc(CC(CC)(Cc2ccc(CC)cc2)N(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 1/20 0.36
CYP2A6 P11509 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METAP2 P50579 1/20 0.32
PLAU P00749 1/20 0.32
LMNA P02545 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
SCHEMBL9947764 0.83 TAAR1 (0.45) CYP2C9TP53TAAR1ALDH1A1TSHR
SCHEMBL9948056 0.79 CYP2C19 (0.42) TP53TAAR1ALDH1A1TSHRTDP1
SCHEMBL31006929 0.77 SLC6A4 (0.43) TP53TAAR1ALDH1A1TSHRTDP1
SCHEMBL28279595 0.76 TP53 (0.39) CYP2C9TP53TAAR1HPGDCYP2A6
SCHEMBL14350828 0.75 TP53 (0.42) CYP2C9TP53TAAR1HPGDCYP2A6
Trimethylammonium SCHEMBL27719445 0.72 TP53 (0.56) TP53TAAR1HPGDCYP2A6LPL
SCHEMBL15250832 0.70 TAAR1 (0.46) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL14872069 0.70 BRS3 (0.41) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL36295 0.69 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL15706822 0.69 ESR1 (0.61) TP53TAAR1CYP2A6LPLLIPG

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
US-20250381516-A1 AMINE AND AMMONIUM MODIFIED SILICONES FOR DIRECT AIR CAPTURE OF CARBON DIOXIDE GREEN MATTHEW (US) 2025-12-18 US disclosed