SCHEMBL9007552

SCHEMBL9007552

COc1ccc2cc(CC3=C(CC(=O)O)CCCC3=O)ccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
NCEH1 Q6PIU2 1/20 0.39
RXFP1 Q9HBX9 5/20 0.39
LMNA P02545 4/20 0.39
PTPN1 P18031 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
CA5A P35218 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL9007619 0.82 CYP19A1 (0.42) GAANCEH1RXFP1LMNAPTPN1
SCHEMBL9136395 0.82 NCEH1 (0.41) NCEH1RXFP1LMNAPTPN1PTGS1
SCHEMBL11745958 0.80 GAA (0.61) GAANCEH1RXFP1LMNAPTGS1
SCHEMBL9007517 0.80 AKR1B1 (0.41) RXFP1POLBAKR1B1KDM4EKMT2A
Methane SCHEMBL10453459 0.79 GAA (0.60) GAANCEH1RXFP1LMNAPTGS1
SCHEMBL9007571 0.77 NR1H4 (0.44) LMNASMN1; SMN2AKR1B1ALDH1A1KMT2A
SCHEMBL9007525 0.75 AKR1B1 (0.41) AKR1B1PTGDR2
SCHEMBL6481148 0.73 NCEH1 (0.54) GAANCEH1RXFP1LMNAPTPN1
SCHEMBL4673038 0.71 NCEH1 (0.49) GAANCEH1RXFP1LMNAPTGS1
SCHEMBL9007566 0.70 AKR1B1 (0.42) GAAAKR1B1PTGDR2

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-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US claimed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US claimed
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed