SCHEMBL28042989

SCHEMBL28042989

CCP(Cc1c(C)cc(C)cc1C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 1/20 0.35
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ XDH P47989 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
Phosphonic Acid SCHEMBL28952677 0.91 MEN1 (0.35) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL19190082 0.91 MEN1 (0.39) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL1582351 0.79 MEN1 (0.39) MEN1KMT2AMAPK1TP53SLC6A2
Water SCHEMBL27748223 0.78 MEN1 (0.38) MEN1KMT2AMAPK1TP53SLC6A2
Hydrochloric Acid SCHEMBL28407256 0.78 MEN1 (0.38) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL26257572 0.78 MEN1 (0.38) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL27898432 0.76 MEN1 (0.37) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL20692428 0.75 MEN1 (0.34) MEN1KMT2AMAPK1TP53SLC6A2
SCHEMBL231466 0.73 CYP3A4 (0.45) TP53L3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4242743 0.72 TP53 (0.44) TP53ALDH1A1SMN1; SMN2TSHR

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-105051007-B High refractive index addition-fragmentation agents 3M创新有限公司 2020-03-13 — — CN disclosed
CN-105051007-A High refractive index addition-fragmentation agents 3M INNOVATIVE PROPERTIES CO 2015-11-11 — — CN disclosed
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