SCHEMBL8150989

SCHEMBL8150989

C=CC(=O)OCCCCCCC(=Cc1cccc(F)c1C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX5 P09917 5/20 0.38
▸ PTGES O14684 4/20 0.38
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ APEX1 P27695 3/20 0.34
▸ PPARG P37231 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYSLTR2 Q9NS75 2/20 0.31
▸ CYSLTR1 Q9Y271 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL8150987 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4ALOX5THRB
SCHEMBL28073342 0.73 LMNA (0.46) ALDH1A1TSHRCYP3A4ALOX5PTGES
SCHEMBL29507092 0.67 TSHR (0.58) ALDH1A1TSHRCYP3A4THRBHPGD
SCHEMBL15910613 0.67 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHPGD
SCHEMBL21244263 0.67 ALDH1A1 (0.40) ALDH1A1TSHRTHRBKDM4ESMN1; SMN2
SCHEMBL15910964 0.67 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4THRBHPGD
SCHEMBL20448165 0.66 TSHR (0.57) ALDH1A1TSHRCYP3A4HPGDAPEX1
SCHEMBL27444463 0.66 TSHR (0.57) ALDH1A1TSHRCYP3A4THRBHPGD
Toluene SCHEMBL10939065 0.66 TSHR (0.60) ALDH1A1TSHRCYP3A4THRBHPGD
SCHEMBL12769627 0.65 TSHR (0.51) ALDH1A1TSHRCYP3A4THRBHPGD

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-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
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