SCHEMBL9819147

SCHEMBL9819147

CC1CC(=O)c2c(ccc(Cl)c2Cl)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
BRD4 O60885 3/20 0.41
CREBBP Q92793 3/20 0.41
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40
ALPI P09923 1/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
GCGR P47871 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9818945 0.73 PBRM1 (0.43) PBRM1BRD4CREBBPAKR1B1MAPT
SCHEMBL30964228 0.71 BRD4 (0.45) PBRM1BRD4CREBBPALDH1A1MAPT
SCHEMBL7609607 0.71 BRD4 (0.45) PBRM1BRD4CREBBPALDH1A1MAPT
SCHEMBL9818910 0.71 PBRM1 (0.51) PBRM1BRD4CREBBPAKR1B1ALDH1A1
SCHEMBL9819094 0.70 PBRM1 (0.58) PBRM1BRD4CREBBPAKR1B1ALDH1A1
SCHEMBL9818879 0.70 PBRM1 (0.58) PBRM1BRD4CREBBPAKR1B1ALDH1A1
SCHEMBL28813644 0.70 MAOA (0.59) PBRM1BRD4CREBBPALDH1A1MAPT
SCHEMBL68075 0.70 PBRM1 (0.67) PBRM1BRD4CREBBPAKR1B1ALDH1A1
SCHEMBL10713025 0.68 PBRM1 (0.55) PBRM1BRD4CREBBPAKR1B1ALDH1A1
SCHEMBL5951701 0.67 ACHE (0.50) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed