SCHEMBL21028014

SCHEMBL21028014

O=S(=O)(c1ccccc1)c1ncccc1Cc1c2n(c3ccccc13)C(C(O)O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.42
HTR6 P50406 6/20 0.35
PER2 O15055 2/20 0.32
CRY1 Q16526 2/20 0.32
CRY2 Q49AN0 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGDR Q13258 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL21027972 0.86 PTGDR2 (0.45) PTGDR2HTR6MEN1RAB9AKMT2A
SCHEMBL21027857 0.81 PTGDR2 (0.47) PTGDR2HTR6PTGDR
SCHEMBL21027976 0.81 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL21028324 0.77 PTGDR2 (0.42) PTGDR2PTGDR
SCHEMBL21028025 0.74 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL21028005 0.72 PTGDR2 (0.38) PTGDR2HTR6PER2CRY1CRY2
SCHEMBL21028003 0.71 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL21027860 0.70 PTGDR2 (0.49) PTGDR2PTGDR
SCHEMBL21028084 0.70 PTGDR2 (0.50) PTGDR2PTGDR
SCHEMBL21028015 0.67 ALDH1A1 (0.38) PTGDR2MEN1RAB9AKMT2A

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
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed