SCHEMBL27800984

SCHEMBL27800984

COCC(Cc1cc(C(C)(C)C)n[nH]1)OC=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HCAR2 Q8TDS4 2/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL27821747 0.81 HPGD (0.36) HPGDTSHR
SCHEMBL27800951 0.81 HPGD (0.36) HPGDTSHR
SCHEMBL27800826 0.79 HPGD (0.37) HPGDTSHR
SCHEMBL28013917 0.76 HPGD (0.30) HPGDTSHR
SCHEMBL27800909 0.71 HPGD (0.44) HPGDTSHRHCAR2LMNA
SCHEMBL27471211 0.70 AOC2 (0.30) —
SCHEMBL28849900 0.69 — —
SCHEMBL12162717 0.63 HPGD (0.38) HPGDTSHR
SCHEMBL1206509 0.63 HPGD (0.56) HPGDTSHRHCAR2LMNA
SCHEMBL28268579 0.63 TSHR (0.30) TSHR

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
CN-101945869-B Pyrido [2,3-B ] pyrazine-8-substituted compounds and uses thereof CANCER REC TECH LTD 2014-06-18 — — CN disclosed
CN-101945869-A Pyrido [2,3-B ] pyrazine-8-substituted compounds and uses thereof CANCER REC TECH LTD 2011-01-12 — — CN disclosed
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