SCHEMBL30163264

SCHEMBL30163264

N#Cc1ccccc1COC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
FFAR1 O14842 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
ALKBH1 Q13686 1/20 0.45
KCNH2 Q12809 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL5932420 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL27594582 0.85 NPC1 (0.64) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL287344 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL5932500 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL4618290 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL19765228 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL11025355 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL13069883 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL6517065 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EFFAR1RAB9ANPC1
SCHEMBL3519688 0.79 FFAR1 (0.55) ALDH1A1KDM4EFFAR1RAB9ANPC1

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-115557929-A Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-01-03 CN disclosed