SCHEMBL7688221

SCHEMBL7688221

CCOC(=O)CC(=O)CCCCn1cncn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.40
TNF P01375 1/20 0.38
RAB9A P51151 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL7684254 0.96 EGLN3 (0.46) EGLN3ALDH1A1MEN1USP2TSHR
SCHEMBL7681770 0.90 EGLN3 (0.53) EGLN3ALDH1A1MEN1USP2TSHR
SCHEMBL5929803 0.81 EGLN3 (0.59) EGLN3ALDH1A1MEN1USP2TSHR
SCHEMBL7824835 0.76 TBXAS1 (0.55) ALDH1A1
SCHEMBL2362473 0.75 CYP1A2 (0.46) EGLN3ALDH1A1MEN1KMT2APOLB
SCHEMBL4476235 0.74 GAA (0.61) ALDH1A1USP2TSHRKMT2AHSD17B10
SCHEMBL6303688 0.74 GAA (0.61) ALDH1A1USP2TSHRKMT2AHSD17B10
SCHEMBL14578740 0.72 DGKA (0.51) EGLN3ALDH1A1MEN1USP2TSHR
SCHEMBL6138808 0.72 GAA (0.58) ALDH1A1USP2TSHRKMT2AHSD17B10
SCHEMBL30161886 0.71 EGLN3 (0.62) EGLN3ALDH1A1MEN1USP2TSHR

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
US-6403606-B1 ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2002-06-11 US disclosed
US-6046189-A ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-04 US disclosed