SCHEMBL9408541

SCHEMBL9408541

O=C(O)CN(CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.52
ACP1 P24666 2/20 0.49
TACR1 P25103 1/20 0.48
GPR35 Q9HC97 1/20 0.48
THRB P10828 2/20 0.46
P2RX1 P51575 1/20 0.43
MAPT P10636 3/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA4 P22748 4/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 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
SCHEMBL10640593 0.84 LMNA (0.65) LMNAALDH1A1ACP1TACR1GPR35
SCHEMBL9408683 0.76 LMNA (0.42) LMNAALDH1A1ACP1CA1CA2
SCHEMBL9408639 0.76 TDP1 (0.47) LMNATACR1
SCHEMBL9408665 0.76 TDP1 (0.47) LMNATACR1
SCHEMBL9408542 0.73 BLM (0.44) LMNAALDH1A1TACR1
SCHEMBL16628091 0.73 LMNA (0.71) LMNAALDH1A1ACP1TACR1GPR35
SCHEMBL5536322 0.73 LMNA (0.71) LMNAALDH1A1ACP1TACR1GPR35
SCHEMBL9408558 0.73 RHOC (0.48) LMNAALDH1A1TACR1POLB
SCHEMBL9408647 0.73 RHOC (0.45) LMNATACR1
SCHEMBL10750113 0.73 LMNA (0.65) LMNAALDH1A1ACP1TACR1GPR35

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
EP-0592306-A2 19F-MRI Contrast medium TERUMO KABUSHIKI KAISHA (JP) 1994-04-13 EP disclosed