SCHEMBL10936788

SCHEMBL10936788

COc1cc(OC)cc(C(=O)c2ccc(C(=O)O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALPL P05186 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL10936348 0.85 GAA (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3174611 0.83 TUBB1 (0.44) RXRAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3170879 0.80 MEN1 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C9
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.78 RXRA (0.64) RXRACA1CA2ABCG2KDM4E
SCHEMBL21686698 0.77 KDM4E (0.56) RXRACYP1A2CYP3A4CYP2C9CA1
3,5-Dimethoxybenzoic Acid SCHEMBL20592058 0.76 RXRA (0.62) RXRACA1CA2ABCG2KDM4E
3,5-Dimethoxybenzoic Acid SCHEMBL5668197 0.76 RXRA (0.62) RXRACA1CA2ABCG2KDM4E
SCHEMBL10939230 0.75 TUBB1 (0.47) RXRATUBB1CA1CA2KDM4E
SCHEMBL1817008 0.75 ALDH1A1 (0.58) RXRAMEN1KMT2ATUBB1ABCG2
3,5-Dimethoxybenzoic Acid SCHEMBL9426765 0.74 RXRA (0.60) RXRACA1CA2ABCG2KDM4E

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
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed