SCHEMBL14045642

SCHEMBL14045642

CCC(C)(CC)c1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C(C)(CC)CC)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HTT P42858 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL25751363 0.95 ALDH1A1 (0.37) BRD4ALDH1A1PKMNPSR1MEN1
SCHEMBL14045733 0.89 CA9 (0.35) ALDH1A1NPSR1MEN1KMT2AMCHR1
SCHEMBL13515115 0.87 CA9 (0.36) ALDH1A1NPSR1MEN1KMT2AMAPK1
SCHEMBL12812224 0.87 BRD4 (0.48) BRD4ALDH1A1PKMNPSR1MEN1
SCHEMBL14045641 0.86 CA9 (0.41) ALDH1A1MEN1KMT2APOLBCA9
SCHEMBL14045732 0.86 CA9 (0.42) ALDH1A1NPSR1MEN1KMT2ACA9
SCHEMBL14036053 0.83 BRD4 (0.47) BRD4ALDH1A1PKMNPSR1MEN1
SCHEMBL14231501 0.83 NPSR1 (0.46) BRD4ALDH1A1PKMNPSR1MEN1
SCHEMBL14036052 0.83 BRD4 (0.47) BRD4ALDH1A1PKMNPSR1MEN1
SCHEMBL24452956 0.82 CA9 (0.34) CA9CA12CA1CA2

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-20080248273-A1 Polymer, Method For Producing the Polymer, Optical Film, and Image Display Device FUJIFILM CORPORATION (JP) 2008-10-09 US disclosed