SCHEMBL31323822

SCHEMBL31323822

O=C(OCCCCCCBr)C1CCCCCCCCCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
FKBP1A P62942 4/20 0.39
EPHX1 P07099 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.35
MDM2 Q00987 1/20 0.35
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL31613126 1.00 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL31323878 1.00 ALDH1A1 (0.41) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL27487204 0.93 EPHX2 (0.39) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL28950593 0.91 NAAA (0.35) ALDH1A1TSHREPHX2RAB9AMAPT
SCHEMBL11526143 0.91 NAAA (0.35) ALDH1A1TSHREPHX2RAB9AMAPT
SCHEMBL11525741 0.91 NAAA (0.35) ALDH1A1TSHREPHX2RAB9AMAPT
SCHEMBL28099782 0.91 ALDH1A1 (0.46) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL13291850 0.89 ALDH1A1 (0.47) ALDH1A1FKBP1AEPHX1ADRB2ADRB1
SCHEMBL27488981 0.87 SMN1; SMN2 (0.38) ALDH1A1FKBP1AADRB2ADRB1ADRB3
SCHEMBL11337694 0.85 ALDH1A1 (0.45) ALDH1A1FKBP1AADRB2ADRB1ADRB3

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-2025035202-A1 IONIZABLE LIPIDS COMPRISING MACROCYCLIC RINGS FOR THE DELIVERY OF THERAPEUTIC AGENTS NANOVATION THERAPEUTICS INC. (CA) 2025-02-20 WO disclosed