SCHEMBL31453480

SCHEMBL31453480

CCC(CC)NCCCCCCNC(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CNR1 P21554 2/20 0.50
ADRA1A P35348 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCC3 O15438 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 2/20 0.35
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL31453488 1.00 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
Water SCHEMBL11967853 0.97 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL31453481 0.97 LMNA (0.52) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL25132260 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL7776968 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL27599073 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL10879682 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL20033727 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL1237101 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL10393993 0.92 EPHX1 (0.48) LMNACNR1ADRA1ATDP1KDM4E

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
US-20250296033-A1 ACID GAS REMOVAL METHOD AND ACID GAS REMOVAL SYSTEM KABUSHIKI KAISHA TOSHIBA (JP) 2025-09-25 US disclosed
US-20250090996-A1 ACID GAS REMOVAL METHOD, ACID GAS ABSORBENT, AND ACID GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2025-03-20 US disclosed