Resorcinol

Resorcinol

SCHEMBL10979680

CC(=O)C(C)=O.Oc1cccc(O)c1

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP3A4 P08684 3/20 0.67
CA12 O43570 3/20 0.67
CA2 P00918 3/20 0.67
CA9 Q16790 3/20 0.67
CA5A P35218 2/20 0.67
CA14 Q9ULX7 2/20 0.67
LMNA P02545 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
CYP1A2 P05177 1/20 0.56
ACHE P22303 2/20 0.52
CA1 P00915 2/20 0.52
CA6 P23280 1/20 0.52
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
EGLN2 Q96KS0 1/20 0.46
TSHR P16473 2/20 0.46

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
Resorcinol SCHEMBL8873830 0.92 ALDH1A1 (0.71) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL27802 0.89 ALDH1A1 (0.67) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL249306 0.89 ALDH1A1 (0.67) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL28160240 0.89 ALDH1A1 (0.67) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL11757131 0.86 ALDH1A1 (0.63) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL29183167 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL20975384 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL5404097 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL27654350 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4CA12CA2CA9
Resorcinol SCHEMBL258586 0.82 ALDH1A1 (0.75) ALDH1A1CYP3A4CA12CA2CA9

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
EP-0012512-A1 A process for the production of 2-alkyl- or 2-alkenyl-4,6-diacetyl resorcinols; 2-allyl-4,6-diacetyl resorcinol FISONS plc (GB) 1980-06-25 EP claimed
US-4522745-A NITROGEN CONTAINING RING;POSSIBLY CONTAINING OXYGEN, SULFUR, SELENIUM OR TELLURIUM CHEVRON RESEARCH COMPANY (US) 1985-06-11 US disclosed