SCHEMBL8157062

SCHEMBL8157062

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ ALOX5 P09917 4/20 0.39
▸ PTGES O14684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ APEX1 P27695 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ APP P05067 4/20 0.32

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
SCHEMBL8143816 0.99 TSHR (0.43) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8150259 0.99 TSHR (0.43) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8158585 0.97 TSHR (0.39) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8152954 0.94 ALOX5 (0.38) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8156951 0.94 TSHR (0.39) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8152268 0.94 TSHR (0.39) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8150450 0.92 ALOX5 (0.38) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8153236 0.88 CYP2C9 (0.44) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8150628 0.84 CA1 (0.33) TSHRALOX5PTGESCYP2C9APEX1
SCHEMBL8157057 0.83 APP (0.47) TSHRCYP2C9LMNAALDH1A1MAPT

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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