SCHEMBL29844025

SCHEMBL29844025

C=C(Cc1nc(Cc2ccc3ccccc3c2)no1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TBXA2R P21731 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ SRC P12931 2/20 0.38
▸ ZAP70 P43403 2/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL23588255 1.00 TSHR (0.46) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23578293 0.83 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29973191 0.83 TSHR (0.38) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29844162 0.83 TSHR (0.62) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588088 0.83 TSHR (0.62) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL25216596 0.81 MAPT (0.48) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL29844221 0.80 MAPK1 (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588364 0.80 MAPK1 (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23578213 0.80 TSHR (0.49) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL23588168 0.79 MAPT (0.40) TSHRMAPK1TDP1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN claimed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 — — EP disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 — — CN disclosed
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