SCHEMBL9408558

SCHEMBL9408558

O=C(O)CN(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 6/20 0.48
RHOA P61586 6/20 0.48
TACR1 P25103 1/20 0.48
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9408647 0.78 RHOC (0.45) RHOCRHOATACR1KDM4ELMNA
SCHEMBL1534290 0.78 RHOC (0.59) RHOCRHOATACR1ALDH1A1POLB
SCHEMBL9408545 0.78 TDP1 (0.43) TACR1KDM4ELMNACHRM2ADRA2A
SCHEMBL9408639 0.76 TDP1 (0.47) TACR1KDM4ELMNACHRM2ADRA2A
SCHEMBL1534263 0.76 EPHX2 (0.63) RHOCRHOATACR1ALDH1A1POLB
SCHEMBL9408665 0.76 TDP1 (0.47) TACR1KDM4ELMNACHRM2ADRA2A
SCHEMBL615919 0.75 TACR1 (0.59) RHOCRHOATACR1ALDH1A1POLB
SCHEMBL565235 0.73 RAB9A (0.57) MCHR1ALDH1A1POLBLMNATSHR
SCHEMBL9408542 0.73 BLM (0.44) RHOCRHOATACR1ALDH1A1KDM4E
SCHEMBL486593 0.73 EPHX2 (0.56) ALDH1A1POLBLMNATSHRCYP2C19

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