SCHEMBL24533902

SCHEMBL24533902

O=C(CCCc1ccccc1)N1CC[C@@H](O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
AR P10275 1/20 0.52
CACNA1G O43497 1/20 0.52
CACNA1H O95180 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
PREP P48147 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL12945058 0.91 POLB (0.67) POLBSMN1; SMN2HPGDNPC1TDP1
SCHEMBL17117487 0.87 POLB (0.61) POLBNPC1RAB9AARCACNA1G
SCHEMBL26114259 0.87 HPGD (0.60) SMN1; SMN2HPGDNPC1TDP1KMT2A
SCHEMBL26107974 0.86 POLB (0.59) POLBNPC1RAB9ACACNA1GCACNA1H
SCHEMBL26113012 0.86 POLB (0.59) POLBNPC1RAB9ACACNA1GCACNA1H
SCHEMBL26111732 0.86 POLB (0.59) POLBNPC1RAB9ACACNA1GCACNA1H
SCHEMBL451085 0.82 FFAR1 (0.57) POLBSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1828872 0.82 ALDH1A1 (0.68) POLBRAB9ACHRM2CHRM4CHRM1
SCHEMBL16973965 0.82 ALDH1A1 (0.68) POLBRAB9ACHRM2CHRM4CHRM1
SCHEMBL12489580 0.82 ALDH1A1 (0.68) POLBRAB9ACHRM2CHRM4CHRM1

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-2022133069-A1 PEPTIDOMIMETIC MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2022-06-23 WO disclosed