SCHEMBL9456447

SCHEMBL9456447

O=C(OCC(F)(F)F)c1cccc(Oc2cccc(C(=O)OCC(F)(F)F)c2C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ FABP7 O15540 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 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
SCHEMBL8567872 0.78 ALDH1A1 (0.59) TDP1NPSR1TSHRKDM4EL3MBTL1
SCHEMBL31121003 0.78 TSHR (0.54) TDP1NPSR1TSHRSMN1; SMN2CA12
SCHEMBL2003037 0.77 TSHR (0.55) TDP1NPSR1TSHRKDM4EL3MBTL1
SCHEMBL27994489 0.75 KDM4E (0.46) TDP1NPSR1TSHRKDM4EL3MBTL1
SCHEMBL29395127 0.75 HTT (0.53) TDP1TSHRKDM4ECA12CA1
SCHEMBL143861 0.75 HTT (0.53) TDP1TSHRKDM4ECA12CA1
SCHEMBL29088055 0.75 MRGPRX4 (0.46) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL29962758 0.75 HTT (0.41) KDM4ECA12CA1CA2CA7
SCHEMBL24361891 0.73 NPSR1 (0.43) TDP1NPSR1TSHRKDM4EL3MBTL1
Water SCHEMBL7618236 0.73 HTT (0.52) TDP1TSHRKDM4ECA12CA1

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-5206117-A PHOTOSENSITIVE POLYAMIC ALKYL ESTER COMPOSITION AND PROCESS FOR ITS USE INTERNATIONAL BUSINESS MACHINES CORPORATION, A NY CORP. 1993-04-27 — — US disclosed
EP-0532183-A2 Photosensitive polyamic alkyl ester composition and process for its use International Business Machines Corporation (US) 1993-03-17 — — EP disclosed
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