SCHEMBL29139301

SCHEMBL29139301

Cc1ccc(C(=O)c2nc(C)c(C)n2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.46
SRD5A2 P31213 2/20 0.44
CXCL8 P10145 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GLO1 Q04760 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL10507092 0.86 ALDH1A1 (0.47) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL29139307 0.81 ENPP3 (0.46) ENPP3ALPLXIAPRAB9ASMN1; SMN2
SCHEMBL30726658 0.81 ENPP3 (0.46) ENPP3ALPLXIAPRAB9ASMN1; SMN2
SCHEMBL3402379 0.71 SMN1; SMN2 (0.37) ALDH1A1KDM4ESMN1; SMN2HTTKMT2A
SCHEMBL3696308 0.71 ALDH1A1 (0.36) ALDH1A1HPGDHTTTDP1
SCHEMBL27595446 0.70 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ESRD5A2CXCL8
SCHEMBL52200 0.70 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL822185 0.70 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL4683800 0.69 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ESRD5A2CXCL8
SCHEMBL11528213 0.68 ALDH1A1 (0.94) ALDH1A1LMNASRD5A2CES2CES1

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
CN-117355563-A Self-assembled carbon fiber bundle and method for producing same, and prepreg and method for producing same 三菱化学株式会社 2024-01-05 CN disclosed