SCHEMBL8686608

SCHEMBL8686608

CCc1cn(Cc2[nH]c(C(=O)O)c(C)c2CCCO)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
DHODH Q02127 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8689487 0.81 RAB9A (0.56) LMNACYP2C9CYP2D6MEN1GAA
SCHEMBL7668283 0.80 NPSR1 (0.43) LMNADHODHCYP1A2CYP2C9CYP2D6
SCHEMBL8686610 0.75 NPSR1 (0.38) LMNADHODHCYP1A2CYP2C9CYP2D6
SCHEMBL9393408 0.75 CYP1A2 (0.46) LMNACYP1A2CYP2C9MEN1GAA
SCHEMBL13228906 0.72 NPSR1 (0.44) LMNADHODHCYP1A2CYP2C9CYP2D6
SCHEMBL8185405 0.68 LMNA (0.37) LMNACYP1A2CYP2C9MEN1GAA
SCHEMBL8684478 0.68 TDP1 (0.67) LMNACYP1A2CYP2C9CYP2D6MEN1
SCHEMBL8686614 0.68 KDM4E (0.38) LMNADHODHCYP1A2CYP2C9CYP2D6
SCHEMBL5772424 0.67 LMNA (0.49) LMNACYP1A2CYP2C9CYP2D6MEN1
SCHEMBL8719716 0.64

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-5756726-A PHOTOSENSITIZERS PHARMACYCLICS, INC. (US) 1998-05-26 US disclosed