SCHEMBL29099922

SCHEMBL29099922

CCN(CC)c1ccc(C=C2CC/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.58
▸ ALDH1A1 P00352 6/20 0.56
▸ ALDH3A1 P30838 1/20 0.56
▸ ALDH1A3 P47895 1/20 0.56
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ LMNA P02545 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MCOLN3 Q8TDD5 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ FGFR1 P11362 1/20 0.55
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HSD11B1 P28845 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ BCHE P06276 1/20 0.53

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
SCHEMBL2847156 1.00 CYP1A2 (0.58) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL51253 1.00 CYP1A2 (0.58) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL51252 1.00 CYP1A2 (0.58) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL352161 0.93 CYP1A2 (0.69) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL352162 0.93 CYP1A2 (0.69) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL6270129 0.90 FGFR1 (0.51) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL6270133 0.90 FGFR1 (0.51) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL8780610 0.87 ALDH1A1 (0.53) CYP1A2ALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL9804016 0.84 MIF (0.67) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL30298451 0.84 MIF (0.67) ALDH1A1MEN1KMT2ALMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116716039-B Photocatalytic radiation refrigeration coating, preparation method and application 北京助天科技集团有限公司 2023-12-26 — — CN claimed
CN-116716039-A Photocatalytic radiation refrigeration coating, preparation method and application 北京助天科技集团有限公司 2023-09-08 — — CN claimed
Send feedback