SCHEMBL17798293

SCHEMBL17798293

CCCCOCCOCCOC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.64
▸ TSHR P16473 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ ESR1 P03372 2/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ NR1H2 P55055 1/20 0.61
▸ RNASEL Q05823 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ PDE4D Q08499 1/20 0.59
▸ ABCB11 O95342 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ SCN5A Q14524 1/20 0.57
▸ TP53 P04637 1/20 0.55
▸ PLA2G4B P0C869 2/20 0.54

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
SCHEMBL9054152 1.00 RARB (0.64) RARBTSHRLMNACYP1A2CYP2C19
SCHEMBL16278866 0.93 ESR1 (0.69) RARBTSHRLMNACYP1A2CYP2C19
SCHEMBL17797863 0.93 ESR1 (0.69) RARBTSHRLMNACYP1A2CYP2C19
SCHEMBL9840621 0.93 ESR1 (0.69) RARBTSHRLMNACYP1A2CYP2C19
SCHEMBL22832633 0.92 ESR1 (0.72) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL11051920 0.90 LMNA (0.61) RARBTSHRLMNACYP1A2CYP2C19
Terephthalic Acid SCHEMBL21044732 0.90 TSHR (0.74) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL37477 0.90 TSHR (0.74) TSHRLMNACYP1A2CYP2C19ESR1
SCHEMBL9860859 0.89 LMNA (0.69) RARBTSHRLMNACYP1A2CYP2C19
SCHEMBL8149734 0.89 LMNA (0.69) RARBTSHRLMNACYP1A2CYP2C19

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-3990533-A1 HIGH SOLVATING MIXED TEREPHTHALATE ESTER PLASTICIZER COMPOSITIONS Eastman Chemical Company (US) 2022-05-04 — — EP disclosed
WO-2020263592-A1 HIGH SOLVATING MIXED TEREPHTHALATE ESTER PLASTICIZER COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2020-12-30 — — WO disclosed
US-9963583-B2 Poly(vinyl acetal) resin compositions, layers, and interlayers having enhanced optical properties SOLUTIA INC. (US) 2018-05-08 — — US disclosed
EP-3230376-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES Solutia Inc. (US) 2017-10-18 — — EP disclosed
WO-2016094203-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-16 — — WO disclosed
US-20160160030-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-09 — — US disclosed
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