SCHEMBL11671799

SCHEMBL11671799

CCCCN(c1ccccc1)C(C)OC(=O)Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL11670530 0.93 LMNA (0.40) ALDH1A1NPC1RAB9AJAK2PAX8
SCHEMBL11671478 0.91 GAA (0.42) ALDH1A1PTGESALOX5PPARGPPARA
SCHEMBL11672517 0.91 TRPM8 (0.43) ALDH1A1ALOX5NPC1RAB9AKMT2A
SCHEMBL11671777 0.89 LMNA (0.42) ALDH1A1PPARGPPARANPC1RAB9A
SCHEMBL11671429 0.89 RAB9A (0.42) ALDH1A1PPARGPPARANPC1RAB9A
SCHEMBL11670856 0.89 KMT2A (0.38) ALDH1A1ALOX5PPARGPPARANPC1
SCHEMBL11672703 0.88 LTA4H (0.40) PPARGPPARA
SCHEMBL11671563 0.88 ALDH1A1 (0.41) ALDH1A1ALOX5NPC1RAB9AUSP2
SCHEMBL11670187 0.87 ALDH1A1 (0.41) ALDH1A1ALOX5PPARGPPARANPC1
SCHEMBL11671507 0.87 ALDH1A1 (0.46) ALDH1A1ALOX5PPARGPPARANPC1

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
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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