SCHEMBL8428853

SCHEMBL8428853

COc1ccc(C(C(=O)O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53

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
SCHEMBL7442139 0.94 KMT2A (0.66) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8428854 0.91 ALDH1A1 (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7656840 0.83 CA12 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11807890 0.79 ALDH1A1 (0.65) KMT2AMAPTALDH1A1SMN1; SMN2CA12
SCHEMBL8428857 0.79 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3345207 0.79 CA12 (0.68) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL742343 0.78 KMT2A (0.71) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11211724 0.78 ALDH1A1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4026040 0.78 KMT2A (0.79) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL29591107 0.78 KMT2A (0.79) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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
US-5861412-A CARDIOPROTECTIVE AGENTS, CEREBROPROTECTIVE AGENTS, AGENTS FOR TREATING CHRONIC INFLAMMATORY PROCESSES, ANTIPROLIFERATIVE AGENTS AND AS AGENTS FOR TREATING ULCERATIVE COLITIS AND CROHN'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1999-01-19 US disclosed
US-5674878-A ANTIPROLIFERATIVE,-TUMOR AND -CARCINOGENIC AGENTS; ULCERATIVE COLITIS; CROHN*S DISEASE BOEHRINGER INGELHEIM KG (DE) 1997-10-07 US disclosed
US-5643919-A TREATMENT OF CROHN*S DISEASE, ULCERATIVE COLITIS BOEHRINGER INGELHEIM KG (DE) 1997-07-01 US disclosed