SCHEMBL8150628

SCHEMBL8150628

C=C(C)C(=O)OCCC(=Cc1ccc([C@H]2CC[C@H](CC)CC2)cc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX5 P09917 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SLC18A3 Q16572 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ DGAT1 O75907 3/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PTGES O14684 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ DPEP1 P16444 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL8153236 0.92 CYP2C9 (0.44) CA1CA2CYP2C9ALOX5ALDH1A1
SCHEMBL8150450 0.90 ALOX5 (0.38) CA1CA2CYP2C9ALOX5ALDH1A1
SCHEMBL8143521 0.89 ESR2 (0.36) CA1CA2ALOX5ALDH1A1POLB
SCHEMBL8152954 0.89 ALOX5 (0.38) CA1CA2CYP2C9ALOX5ALDH1A1
SCHEMBL8156951 0.88 TSHR (0.39) CYP2C9ALOX5ALDH1A1LMNAMAPT
SCHEMBL8152268 0.88 TSHR (0.39) CYP2C9ALOX5ALDH1A1LMNAMAPT
SCHEMBL8158585 0.84 TSHR (0.39) CA1CA2CYP2C9ALOX5ALDH1A1
SCHEMBL8157062 0.84 TSHR (0.41) CYP2C9ALOX5ALDH1A1LMNAMAPT
SCHEMBL8143816 0.83 TSHR (0.43) CYP2C9ALOX5ALDH1A1LMNAMAPT
SCHEMBL8150259 0.83 TSHR (0.43) CYP2C9ALOX5ALDH1A1LMNAMAPT

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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