SCHEMBL10334010

SCHEMBL10334010

COc1ccc(CCC(=O)CCC(=O)N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
F2RL1 P55085 1/20 0.49
DPP4 P27487 1/20 0.48
ACE P12821 6/20 0.47
MEN1 O00255 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
FKBP1A P62942 2/20 0.46
DGAT1 O75907 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11209691 0.88 DPP4 (0.55) KMT2AALDH1A1TSHRDPP4MEN1
SCHEMBL10335879 0.87 ACE (0.50) DPP4ACEACE2
SCHEMBL10335836 0.85 F2 (0.51) ACEACE2
SCHEMBL7278569 0.84 KMT2A (0.49) KMT2AALDH1A1TSHRF2RL1DPP4
SCHEMBL9372814 0.83 HPGD (0.58) KMT2AALDH1A1DPP4MEN1L3MBTL1
SCHEMBL7475648 0.83 HPGD (0.58) KMT2AALDH1A1DPP4MEN1L3MBTL1
SCHEMBL3504947 0.83 HPGD (0.58) KMT2AALDH1A1DPP4MEN1L3MBTL1
SCHEMBL7293220 0.83 ACE (0.57) ALDH1A1ACEACE2
SCHEMBL6786409 0.83 ACE (0.57) ALDH1A1ACEACE2
SCHEMBL9702219 0.82 DPP4 (0.49) DPP4ACEDGAT1ACE2

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-4977180-A ANTIAMNESIA AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1990-12-11 US disclosed
US-4952601-A Fungicidal 3-cyano-4-phenyl-pyrrole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed