SCHEMBL27880109

SCHEMBL27880109

NCCCC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.51
▸ CPB2 Q96IY4 3/20 0.48
▸ PPARG P37231 3/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ PPARA Q07869 2/20 0.46
▸ CPA3 P15088 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ AMPD2 Q01433 1/20 0.43

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
SCHEMBL29331235 0.90 PPARG (0.49) FOLH1PPARGEPHX2PPARACPA3
SCHEMBL429946 0.85 FOLH1 (0.70) FOLH1CPB2CPA3CYP1A2
Hydrochloric Acid SCHEMBL30239113 0.83 FOLH1 (0.68) FOLH1CPB2CPA3CYP1A2
SCHEMBL4619329 0.83 PPARG (0.55) FOLH1CPB2PPARGEPHX2PPARA
SCHEMBL4663230 0.82 CYP1A2 (0.65) FOLH1CPB2PPARGEPHX2PPARA
Hydrochloric Acid SCHEMBL7990559 0.81 PPARG (0.54) FOLH1PPARGEPHX2PPARACPA3
SCHEMBL28807890 0.81 PPARA (0.55) FOLH1PPARGEPHX2PPARAKMT2A
SCHEMBL28947373 0.81 PPARA (0.55) FOLH1PPARGEPHX2PPARAKMT2A
SCHEMBL28807919 0.81 PPARA (0.55) FOLH1PPARGEPHX2PPARAKMT2A
SCHEMBL28807881 0.81 PPARA (0.55) FOLH1PPARGEPHX2PPARAKMT2A

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
CN-102786482-A Akt protein kinase inhibitors ARRAY BIOPHARMA INC 2012-11-21 — — CN disclosed
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