SCHEMBL9129107

SCHEMBL9129107

CC(O)N(CCc1ccccc1)C(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.54
▸ SIGMAR1 Q99720 4/20 0.52
▸ AOC3 Q16853 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.47
▸ OPRK1 P41145 3/20 0.45
▸ OPRM1 P35372 3/20 0.45
▸ OPRD1 P41143 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
Water SCHEMBL5669256 0.98 TAAR1 (0.52) TAAR1SIGMAR1AOC3KDM4EOPRK1
SCHEMBL2062577 0.84 FFAR1 (0.50) KCNH2
Hydrogen Peroxide SCHEMBL8069823 0.83 SIGMAR1 (0.39) TAAR1SIGMAR1AOC3KDM4EOPRK1
SCHEMBL11740957 0.83 TAAR1 (0.58) TAAR1SIGMAR1AOC3KDM4EOPRM1
SCHEMBL27885210 0.82 SIGMAR1 (0.65) TAAR1SIGMAR1AOC3KDM4E
Water SCHEMBL5919047 0.81 TAAR1 (0.56) TAAR1SIGMAR1AOC3KDM4EOPRM1
SCHEMBL27904501 0.80 TAAR1 (0.50) TAAR1SIGMAR1AOC3KDM4EOPRK1
SCHEMBL79748 0.78 TSHR (0.50) AOC3OPRK1MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL11200662 0.77 TSHR (0.48) AOC3OPRK1MEN1NPC1RAB9A
SCHEMBL2662419 0.75 KMT2A (0.50) AOC3OPRK1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446126-A Dissolving resist in solvent, contacting with cation exchange resin which has been prewashed with quaternary ammonium salt solution, separating resin OCG MICROELECTRONIC MATERIALS, INC. (US) 1995-08-29 — — US disclosed
US-5446125-A Dissolving novolak resist in a solvent, contacting with cation exchange and chelate resins, separating chelate and ion exchange resins from novolak OCG MICROELECTRONIC MATERIALS, INC. (US) 1995-08-29 — — US disclosed
US-5378802-A Contacting with cationic exchange resin prewashed with quaternary ammonium salt; separation; demetallization OCG MICROELECTRONIC MATERIALS, INC. (US) 1995-01-03 — — US disclosed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES — 1992-09-23 — — EP disclosed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 — — EP disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 — — WO disclosed
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