SCHEMBL29128997

SCHEMBL29128997

CC(I)=Cc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 3/20 0.48
ACHE P22303 1/20 0.39
KDM4E B2RXH2 5/20 0.36
RAB9A P51151 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
TTR P02766 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
SCHEMBL257719 0.81 ALDH1A1 (0.52) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL29293295 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL22478581 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL7188617 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL14950437 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL13891036 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL14864730 0.77 ALDH1A1 (0.48) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL21889981 0.77 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL22597894 0.76 ALDH1A1 (0.46) ALDH1A1TSHRACHEKDM4ERAB9A
SCHEMBL24832676 0.74 ALDH1A1 (0.50) ALDH1A1TSHRACHEKDM4ERAB9A

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-111448280-B Photosensitizing agent and active energy ray-curable composition 积水化学工业株式会社 2023-10-27 CN disclosed