SCHEMBL9862057

SCHEMBL9862057

O=C(Oc1c(F)c(F)c(C(=O)O)c(C(=O)O)c1F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 4/20 0.44
▸ F2 P00734 1/20 0.44
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL7086238 0.87 TSHR (0.54) TSHRLMNAF2KMT2AMAPT
Benzoic Acid SCHEMBL28868829 0.86 TSHR (0.52) TSHRLMNAF2KMT2AMAPT
SCHEMBL10061694 0.84 TSHR (0.50) TSHRLMNAF2KMT2AMAPT
SCHEMBL29996962 0.81 TSHR (0.47) TSHRLMNAF2KMT2AMAPT
SCHEMBL31591144 0.79 TSHR (0.48) TSHRLMNAF2KMT2AMAPT
SCHEMBL10061911 0.78 TSHR (0.44) TSHRLMNAF2KMT2AMAPT
SCHEMBL17968595 0.77 TSHR (0.47) TSHRLMNAF2KMT2AMAPT
SCHEMBL5889497 0.77 SENP1 (0.47) TSHRKMT2AMAPTTDP1ALDH1A1
SCHEMBL13713552 0.77 TSHR (0.43) TSHRLMNAF2KMT2AMAPT
SCHEMBL5551848 0.77 LMNA (0.64) TSHRLMNAF2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0271275-B1 TRIFLUOROHYDROXYAROMATIC ACID AND PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1991-11-27 — — EP claimed
US-4831190-A BACTERICIDE INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1989-05-16 — — US claimed
EP-0271275-A1 Trifluorohydroxyaromatic acid and preparation thereof UBE INDUSTRIES, LTD. (JP) 1988-06-15 — — EP claimed
EP-0271275-B1 TRIFLUOROHYDROXYAROMATIC ACID AND PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1991-11-27 — — EP disclosed
US-4831190-A BACTERICIDE INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1989-05-16 — — US disclosed
EP-0271275-A1 Trifluorohydroxyaromatic acid and preparation thereof UBE INDUSTRIES, LTD. (JP) 1988-06-15 — — EP disclosed
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