SCHEMBL7685789

SCHEMBL7685789

FC(F)(F)c1cc(NCCCNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.51
RHOA P61586 2/20 0.51
P2RX1 P51575 4/20 0.45
IDO1 P14902 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
ACP1 P24666 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TRPA1 O75762 4/20 0.41
CYP1A2 P05177 2/20 0.41
XPO1 O14980 1/20 0.40
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL11168074 0.88 MAPT (0.63) RHOCRHOAP2RX1MAPTALDH1A1
SCHEMBL11117725 0.87 RHOC (0.46) RHOCRHOAP2RX1IDO1LMNA
SCHEMBL7574473 0.87 RIPK1 (0.49) RHOCRHOAP2RX1LMNAMAPT
SCHEMBL11116368 0.87 KDM4E (0.44) RHOCRHOAP2RX1IDO1LMNA
SCHEMBL6231339 0.86 TRPA1 (0.46) RHOCRHOAP2RX1LMNAMAPT
SCHEMBL3657741 0.82 XPO1 (0.43) RHOCRHOAP2RX1IDO1LMNA
SCHEMBL1972751 0.82 P2RX1 (0.46) P2RX1IDO1LMNAMAPTRAPGEF4
SCHEMBL6231746 0.82 TRPA1 (0.56) P2RX1IDO1LMNAMAPTRAPGEF4
SCHEMBL12587250 0.80 MAPT (0.47) P2RX1IDO1LMNAMAPTRAPGEF4
SCHEMBL21851562 0.79 P2RX1 (0.47) P2RX1IDO1LMNAMAPTRAPGEF4

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-6335303-B1 EFFECTIVE IN POLYMERIZATION OF ALPHA OLEFINS TO HIGH MOLECULAR WEIGHT POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-01-01 US disclosed
WO-1998045039-A1 POLYMERIZATION CATALYSTS CONTAINING ELECTRON-WITHDRAWING AMIDE LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-10-15 WO disclosed