Paraben

Paraben

SCHEMBL27754690

CCCCCC(=O)O.O=C(O)c1ccc(O)cc1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.66
AKR1B1 P15121 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
TYR P14679 1/20 0.57
DRD1 P21728 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 6/20 0.55
PPARD Q03181 6/20 0.55
PPARA Q07869 6/20 0.55
HDAC11 Q96DB2 5/20 0.55

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
Stearic Acid SCHEMBL27646266 0.98 HSD17B3 (0.67) HSD17B3GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL28853577 0.98 HSD17B3 (0.67) HSD17B3GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL1615180 0.98 HSD17B3 (0.67) HSD17B3GPR84PPARGPPARDPPARA
Terephthalic Acid SCHEMBL28102303 0.93 AKR1B1 (0.67) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL8445561 0.91 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL22655274 0.91 GPR84 (0.68) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL5792979 0.91 CA12 (0.70) HSD17B3CA12CA1CA2CA3
Paraben SCHEMBL9770340 0.91 CA12 (0.70) HSD17B3CA12CA1CA2CA3
Hexanoate SCHEMBL8957484 0.91 AKR1B1 (0.70) HSD17B3AKR1B1GPR84PPARGPPARD
Hexanoate SCHEMBL10408135 0.91 AKR1B1 (0.70) HSD17B3AKR1B1GPR84PPARGPPARD

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
CN-101333338-B Thermoplastic resin composition with stable conductivity TEIJIN CHEMICALS LTD 2012-06-13 CN disclosed
CN-101333338-A Thermoplastic resin composition with stable conductivity TEIJIN CHEMICALS LTD (JP) 2008-12-31 CN disclosed