SCHEMBL31056868

SCHEMBL31056868

O=C1CC(c2ccccc2C(=O)O)NCCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 7/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 2/20 0.33
NAPRT Q6XQN6 2/20 0.33
MTNR1A P48039 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL30109175 0.77 PARP1 (0.44) CYP2C9ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL15203701 0.77 PARP1 (0.44) CYP2C9ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL31424094 0.76 ALDH1A1 (0.46) CYP2C9ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL6268350 0.76 PRCP (0.46) ALDH1A1SMN1; SMN2MAPTLMNANPSR1
SCHEMBL31056764 0.76 CYP2C9 (0.41) CYP2C9ALDH1A1ALOX15SMN1; SMN2LMNA
SCHEMBL28789929 0.75 PARP1 (0.43) CYP2C9ALDH1A1ALOX15HPGDRAB9A
SCHEMBL28452039 0.75 PARP1 (0.43) CYP2C9ALDH1A1ALOX15HPGDRAB9A
SCHEMBL10651485 0.74 ALDH1A1 (0.48) CYP2C9ALDH1A1ALOX15SMN1; SMN2MAPT
SCHEMBL31056773 0.72 CYP2C9 (0.40) CYP2C9ALDH1A1ALOX15NPSR1TSHR
SCHEMBL10648168 0.69 CYP2C9 (0.42) CYP2C9ALDH1A1ALOX15SMN1; SMN2MAPT

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed