SCHEMBL6584398

SCHEMBL6584398

CC(C)(C)c1cc(O)ccc1C[C@H](N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ PMP22 Q01453 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ HTR2B P41595 1/20 0.51

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
SCHEMBL9513810 1.00 ALOX15 (0.51) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL27535126 1.00 ALOX15 (0.51) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL19953454 0.86 ALDH1A1 (0.47) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL17675101 0.85 KIF11 (0.46) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL5793704 0.85 KDM4E (0.51) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL5793705 0.85 KDM4E (0.51) ALOX15HSD17B10ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL27466243 0.84 KDM4E (0.50) ALOX15HSD17B10ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL27466244 0.84 KDM4E (0.50) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL10972221 0.83 ALDH1A1 (0.39) ALOX15HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL7271154 0.81 KDM4E (0.65) ALOX15HSD17B10ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1269776-C Process for producing carboxylic acid derivative and condensing agent comprising quaternary ammonium salt TOKUYAMA CORP (JP) 2006-08-16 — — CN disclosed
EP-1085000-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE AND CONDENSING AGENT COMPRISING QUATERNARY AMMONIUM SALT TOKUYAMA CORP (JP) 2004-10-06 — — EP disclosed
US-6458948-B1 MIXING A QUATERNARY AMMONIUM SALT HAVING A PARTICULAR TRIAZINE RING IN THE MOLECULES THEREOF, A CARBOXYLIC ACID COMPOUND AND A COMPOUND HAVING A NUCLEOPHILIC FUNCTIONAL GROUP, TO CONDENSE THE CARBOXYLIC ACID WITH THE COMPOUND HAVING THE NUCLEOPHILIC TOKUYAMA CORPORATION (JP) 2002-10-01 — — US disclosed
CN-1304392-A Process for producing carboxylic acid derivative and condensing agent comprising quaternary ammonium salt TOKUYAMA CORP (JP) 2001-07-18 — — CN disclosed
EP-1085000-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE AND CONDENSING AGENT COMPRISING QUATERNARY AMMONIUM SALT TOKUYAMA CORPORATION (JP) 2001-03-21 — — EP disclosed
EP-0568687-A1 NOVEL AMYLIN ANTAGONIST PEPTIDES AND USES THEREFOR AMYLIN PHARMACEUTICALS, INC. (US) 1993-11-10 — — EP disclosed
WO-1993010147-A1 NOVEL AMYLIN ANTAGONIST PEPTIDES AND USES THEREFOR AMYLIN PHARMACEUTICALS, INC. (US) 1993-05-27 — — WO disclosed
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