SCHEMBL27902002

SCHEMBL27902002

OCc1ccc([CH]CBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC2 Q92769 1/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
LTA4H P09960 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL7520033 0.78 TSHR (0.42) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL8670278 0.78 PRSS1 (0.43) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL1124751 0.75 ALDH5A1 (0.52) TSHRHPGDHDAC8HDAC2CA12
SCHEMBL6937222 0.74 HDAC8 (0.53) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL6937219 0.74 HDAC8 (0.53) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL41775 0.72 TSHR (0.67) TSHRHPGDPRSS1PRSS2PRSS3
SCHEMBL24197429 0.71 HDAC8 (0.56) TSHRHPGDHDAC8HDAC2CA12
SCHEMBL9516832 0.71 TSHR (0.40) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL8669661 0.71 TSHR (0.58) TSHRHPGDHDAC8HDAC2PRSS1
SCHEMBL506795 0.71 TSHR (0.50) TSHRHPGDHDAC8HDAC2PRSS1

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
CN-102844318-A Compounds for treating respiratory syncytial virus infections BIOTA SCIENT MAN 2012-12-26 CN disclosed