SCHEMBL8682731

SCHEMBL8682731

CCC(CC)CCc1nn(C)c2cc(C(=O)OC)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 9/20 0.36
▸ TSHR P16473 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ERAP2 Q6P179 2/20 0.35
▸ LNPEP Q9UIQ6 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL7658111 0.86 KDM4E (0.37) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL27272748 0.84 SLC22A12 (0.44) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL28472884 0.83 TLR8 (0.41) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL7658563 0.82 ALDH1A1 (0.43) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL28468125 0.81 LOXL2 (0.46) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL7656202 0.81 KDM4E (0.38) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL7655673 0.78 LMNA (0.47) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL27541375 0.76 SLC22A12 (0.47) KDM4EKMT2AALDH1A1TSHRHSD17B10
SCHEMBL23559707 0.74 ADORA2A (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL28019314 0.74 GRM4 (0.44) KDM4EKMT2AALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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