SCHEMBL7434769

SCHEMBL7434769

O=C(NC(F)(F)F)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7431884 0.85 LMNA (0.48) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7431708 0.85 FAAH (0.45) MAPTSMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL7432498 0.85 LTA4H (0.52) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7436536 0.84 TSHR (0.48) MAPTSMN1; SMN2LMNANPSR1MAPK1
SCHEMBL7431782 0.84 SMN1; SMN2 (0.44) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7435567 0.83 TEAD1 (0.46) LTA4HHPGDKMT2AGAA
SCHEMBL7444217 0.83 LMNA (0.47) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7432863 0.83 MAPT (0.45) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7435319 0.83 EPHX1 (0.47) LTA4HMAPTSMN1; SMN2LMNANPSR1
SCHEMBL7438055 0.82 GAA (0.42) LTA4HMAPTSMN1; SMN2LMNANPSR1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed