SCHEMBL29137147

SCHEMBL29137147

CCCCCN(N)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TP53 P04637 3/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
NAAA Q02083 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL29137126 0.98 ALDH1A1 (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137160 0.98 ALDH1A1 (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137121 0.98 ALDH1A1 (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137141 0.98 ALDH1A1 (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137139 0.98 ALDH1A1 (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137135 0.95 HTR1A (0.40) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL29137166 0.87 HTR1A (0.46) TP53HTR1ATSHRESR1
SCHEMBL1834459 0.81 LMNA (0.42) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL1835429 0.80 ALDH1A1 (0.44) ALDH1A1TP53HTR1ADRD2OPRM1
SCHEMBL6884073 0.80 LMNA (0.44) ALDH1A1TP53HTR1ADRD2OPRM1

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-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed