SCHEMBL7877350

SCHEMBL7877350

CC(C)(N)c1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ CHRM3 P20309 5/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL11707501 0.82 MAOB (0.52) SLC6A2TAAR1
Hydrochloric Acid SCHEMBL11711428 0.81 MAOB (0.54) SLC6A2TAAR1
SCHEMBL1066576 0.80 TSHR (0.67) TDP1L3MBTL1TSHRTAAR1
Water SCHEMBL28780406 0.78 TSHR (0.64) TDP1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL1409425 0.78 TSHR (0.64) TDP1L3MBTL1TSHR
SCHEMBL14458204 0.78 TP53 (0.54) TDP1L3MBTL1TSHRTAAR1KCNH2
SCHEMBL7922611 0.78 MAOB (0.63) TDP1L3MBTL1TSHRTAAR1
SCHEMBL15578221 0.77 HRH3 (0.46) TDP1L3MBTL1POLBPTPN2PTPN1
SCHEMBL1837574 0.75 ESR1 (0.54) TDP1L3MBTL1TSHRSLC6A2
SCHEMBL28716976 0.75 TSHR (0.54) TDP1L3MBTL1TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 — — US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 — — US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 — — US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 — — EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 — — WO disclosed
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