SCHEMBL7143727

SCHEMBL7143727

COc1ccc(CC(N)I)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ ATM Q13315 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALOX15 P16050 2/20 0.53
▸ ALOX12 P18054 2/20 0.53
▸ CYP19A1 P11511 1/20 0.51
▸ AOC3 Q16853 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ STAT3 P40763 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ FOS P01100 1/20 0.46

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
SCHEMBL266195 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL31545634 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL31545527 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL2564908 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL3371646 0.83 LDHA (0.59) LDHACA2ATMKDM4EALOX15
SCHEMBL11419411 0.81 LDHA (0.57) LDHACA2ATMKDM4EALOX15
SCHEMBL5712536 0.81 LDHA (0.57) LDHACA2ATMKDM4EALOX15
SCHEMBL5147073 0.81 LDHA (0.57) LDHACA2ATMKDM4EALOX15
SCHEMBL14044083 0.81 LDHA (0.57) LDHACA2ATMKDM4EALOX15
Hydrochloric Acid SCHEMBL8867271 0.81 LDHA (0.57) LDHACA2ATMKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 — — EP disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 — — US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 — — EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 — — EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 — — WO disclosed
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