SCHEMBL9818844

SCHEMBL9818844

C[C@@H]1CC(C(=O)O)c2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
AKR1B1 P15121 2/20 0.41
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
GRM8 O00222 2/20 0.36
GRM7 Q14831 2/20 0.36
GRM4 Q14833 2/20 0.36
GRM2 Q14416 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRM3 Q14832 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
CASP6 P55212 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9818841 1.00 POLB (0.42) POLBAKR1B1MAOBALDH1A1BRD4
SCHEMBL7976360 0.80 CYP2C9 (0.39) POLBALDH1A1GRM8GRM7GRM4
SCHEMBL27865204 0.80 HTT (0.39) ALDH1A1GRM8GRM7GRM4GRM2
SCHEMBL9535853 0.78 AKR1B1 (0.46) AKR1B1MAOBTDP1
SCHEMBL27852235 0.78 ALDH1A1 (0.36) POLBALDH1A1GRM8GRM7GRM4
SCHEMBL9818767 0.76 AKR1B1 (0.45) POLBAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL31110943 0.76 PARP1 (0.36) POLBAKR1B1ALDH1A1BRD4TDP1
SCHEMBL9818765 0.76 AKR1B1 (0.45) POLBAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL4291278 0.76 SGMS2 (0.37) POLBALDH1A1GRM8GRM7GRM4
SCHEMBL27581217 0.76 ALDH1A1 (0.35) POLBALDH1A1GRM8GRM7GRM4

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 1 patent. 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