SCHEMBL30495339

SCHEMBL30495339

O=c1oc2ccccc2cc1OCCC1CC2C=CC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
TYR P14679 1/20 0.36
DAO P14920 1/20 0.36
AKR1B1 P15121 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAOB P27338 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL18560851 0.74 HTR1B (0.48) MEN1KMT2A
SCHEMBL27902431 0.74 RAB9A (0.51) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL18560850 0.73 SMN1; SMN2 (0.52) ALDH1A1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL28816255 0.72 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2HPGDTYR
SCHEMBL7566904 0.72 KDM4E (0.58) ALDH1A1POLBSMN1; SMN2HPGDTYR
SCHEMBL155263 0.72 RAB9A (0.36) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL122745 0.71 CA12 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL30386975 0.71 CA12 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11098991 0.71 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2HPGDTYR
SCHEMBL15635414 0.71 POLB (0.49) ALDH1A1MEN1KMT2APOLBSMN1; SMN2

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-2023158768-A1 DUAL CATALYST SYSTEM FOR MASS ROMP AND CATIONIC POLYMERIZABLE COMPOSITIONS PROMERUS, LLC (US) 2023-08-24 WO disclosed