SCHEMBL9328015

SCHEMBL9328015

CC1CCC(C(C)C)C(OP(=O)(O)Nc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
KCNA5 P22460 1/20 0.48
HPGD P15428 1/20 0.47
P2RX4 Q99571 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP19A1 P11511 2/20 0.41
NFE2L2 Q16236 1/20 0.41
SERPINE1 P05121 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL28143700 0.81 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL2935357 0.78 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL2937641 0.78 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL28434161 0.78 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL16213913 0.77 ALDH1A1 (0.76) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL8933477 0.77 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL16213899 0.76 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL16213891 0.76 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL16213903 0.76 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL9484139 0.75 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AGAA

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-5334741-A Contacting surface of substrate with phosphoramidate solution, heating to thermolyse and generate metaphosphate which phosphorylates substrate RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-08-02 US disclosed