SCHEMBL7642406

SCHEMBL7642406

O=C(OCc1ccccc1)C(=O)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2C19 P33261 1/20 0.50
FKBP1A P62942 1/20 0.49
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46

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
SCHEMBL304689 0.93 FKBP1A (0.53) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL7639964 0.93 FKBP1A (0.50) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL23627579 0.92 TSHR (0.50) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL23306961 0.92 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL22644548 0.92 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL7641957 0.92 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL7637109 0.92 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL2706422 0.92 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL15751214 0.89 KMT2A (0.51) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL6708397 0.89 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed