SCHEMBL11600503

SCHEMBL11600503

CC(=O)N[C@H]1CC[C@H](O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
BDKRB1 P46663 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL11603441 1.00 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BBDKRB1TAS1R3
SCHEMBL11600497 1.00 PTGDR2 (0.42) PTGDR2MTNR1AMTNR1BBDKRB1TAS1R3
SCHEMBL13165574 0.91 MTNR1A (0.47) PTGDR2MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL24015488 0.86 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BCA12CA1
SCHEMBL7526613 0.86 PTGDR2 (0.50) PTGDR2MTNR1AMTNR1BCA12CA1
SCHEMBL11591514 0.83 LMNA (0.47) BDKRB1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL6035916 0.83 BDKRB1 (0.39) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11590180 0.83 BDKRB1 (0.39) BDKRB1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL11590428 0.82 KMT2A (0.51) BDKRB1TAS1R3TAS1R1TAS1R2CA1
SCHEMBL11589990 0.82 KMT2A (0.51) BDKRB1TAS1R3TAS1R1TAS1R2CA1

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-4091018-A ANIMAL GROWTH PROMOTERS AMERICAN CYANAMID COMPANY (US) 1978-05-23 US disclosed
US-4049717-A INTERMEDIATES FOR UREAS AND THIOUREAS AMERICAN CYANAMID COMPANY (US) 1977-09-20 US disclosed