SCHEMBL11670530

SCHEMBL11670530

CCCCN(c1ccccc1)C(C)OC(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ FAAH O00519 7/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL11671799 0.93 ALDH1A1 (0.39) LMNAMAPTALDH1A1L3MBTL1ADRB2
SCHEMBL11671478 0.93 GAA (0.42) MAPTALDH1A1ADRB2NPC1RAB9A
SCHEMBL11672517 0.93 TRPM8 (0.43) ALDH1A1FAAHNPC1RAB9ASMN1; SMN2
SCHEMBL11671821 0.92 L3MBTL1 (0.41) ALDH1A1ATMTDP1L3MBTL1NPC1
SCHEMBL11671777 0.92 LMNA (0.42) LMNAMAPTALDH1A1L3MBTL1ADRB2
SCHEMBL11671429 0.92 RAB9A (0.42) LMNAALDH1A1L3MBTL1ADRB2NPC1
SCHEMBL11672703 0.91 LTA4H (0.40) CNR2
SCHEMBL11671339 0.90 MTNR1B (0.49) ALDH1A1
SCHEMBL11671480 0.90 ALDH1A1 (0.42) LMNAALDH1A1L3MBTL1
SCHEMBL11672790 0.90 RAB9A (0.48) LMNAMAPTALDH1A1TDP1L3MBTL1

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
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
Send feedback