SCHEMBL10657100

SCHEMBL10657100

CCOC(=O)CCCCOc1ccc([N+](=O)[O-])c(/C=C2\C(=O)NC(=O)N2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 3/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ TNF P01375 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL10657105 1.00 FFAR1 (0.43) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL10657656 0.97 PDE3B (0.42) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL10657645 0.97 PDE3B (0.42) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL10659850 0.84 MAPT (0.48) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL10659845 0.84 MAPT (0.48) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL27333063 0.83 HPGD (0.45) FFAR1SMN1; SMN2HPGDPDE3BPDE3A
SCHEMBL27333064 0.83 HPGD (0.45) FFAR1SMN1; SMN2HPGDPDE3BPDE3A
SCHEMBL10655609 0.81 MAPT (0.49) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL10655606 0.81 MAPT (0.49) FFAR1SMN1; SMN2KMT2AHPGDPDE3B
SCHEMBL7319981 0.81 ALDH1A1 (0.47) FFAR1HPGDPDE3BPDE3AP2RY12

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-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 — — US disclosed
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