SCHEMBL22471944

SCHEMBL22471944

C=C(C=CC)C(=O)OCCCCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ATM Q13315 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
SCHEMBL3246416 0.86 HCAR2 (0.44) TSHRALDH1A1CYP3A4ESR1RARB
SCHEMBL28461141 0.82 TSHR (0.61) TSHRALDH1A1HCAR2HPGDATM
SCHEMBL28959610 0.82 TSHR (0.61) TSHRALDH1A1HCAR2HPGDATM
SCHEMBL15991182 0.80 HCAR2 (0.46) TSHRALDH1A1CYP3A4ESR1RARB
SCHEMBL14152029 0.80 HCAR2 (0.46) TSHRALDH1A1CYP3A4ESR1RARB
SCHEMBL14829382 0.80 HCAR2 (0.46) TSHRALDH1A1CYP3A4ESR1RARB
SCHEMBL15991181 0.80 HCAR2 (0.46) TSHRALDH1A1CYP3A4ESR1RARB
SCHEMBL9954635 0.79 TSHR (0.44) TSHRALDH1A1CYP3A4RARB
SCHEMBL10529481 0.79 TSHR (0.44) TSHRALDH1A1CYP3A4RARB
SCHEMBL9956396 0.79 TSHR (0.44) TSHRALDH1A1CYP3A4RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020195979-A1 RESIN COMPOSITION AND MOLDED BODY 三井・ダウ ポリケミカル株式会社 2020-10-01 — — WO disclosed
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