SCHEMBL19980481

SCHEMBL19980481

CN1C(=O)CCCc2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PRKCI P41743 1/20 0.49
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 4/20 0.44
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
DRD2 P14416 5/20 0.42
DRD1 P21728 5/20 0.42
DRD5 P21918 5/20 0.42
DRD3 P35462 5/20 0.42
DRD4 P21917 4/20 0.42
INSR P06213 3/20 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
SCHEMBL6073575 0.90 CYP11B2 (0.51) CYP11B2CYP11B1CYP1A2CYP17A1CYP19A1
SCHEMBL10177054 0.81 ALDH1A1 (0.51) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8287657 0.81 PKM (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30667271 0.81 PKM (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL19224681 0.80 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8553135 0.80 BMPR1B (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL520474 0.80 ATAD2 (0.53) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL30832131 0.80 BMPR1B (0.49) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23051012 0.78 TP53 (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL14849273 0.78 BMPR1B (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021043185-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-03-11 WO disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed