SCHEMBL9252871

SCHEMBL9252871

CCCCC1CC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP18 Q9UMW8 2/20 0.48
UCHL5 Q9Y5K5 2/20 0.48
HSP90AA1 P07900 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
CASP3 P42574 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL9252868 1.00 USP18 (0.48) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL9257875 0.83 GRM2 (0.47) MAPTRAB9AMEN1KMT2ACLK1
SCHEMBL9257881 0.83 GRM2 (0.47) MAPTRAB9AMEN1KMT2ACLK1
SCHEMBL7996076 0.81 DYRK1A (0.62) HSP90AA1MAPTLMNARAB9AKMT2A
SCHEMBL7992606 0.75 MAPT (0.50) MAPTLMNACASP3SMN1; SMN2RAB9A
SCHEMBL9253106 0.70 GRM2 (0.39)
SCHEMBL9261402 0.69 PRKCA (0.43)
SCHEMBL983907 0.69 CYP1A2 (0.49) HSP90AA1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL9261410 0.69 PRKCA (0.43)
SCHEMBL9450634 0.68 MAPT (0.61) MAPTLMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416224-A Reaction of acetyldihydro-2-(3H)-furanone with aldehyde and alkali metal hydroxide HENKEL CORPORATION (US) 1995-05-16 US disclosed
EP-0559789-A1 PROCESS FOR THE PREPARATION OF $g(a)-ALKYL LACTONES HENKEL CORPORATION (US) 1993-09-15 EP disclosed
US-5231192-A Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation HENKEL CORPORATION (US) 1993-07-27 US disclosed
WO-1992009590-A1 PROCESS FOR THE PREPARATION OF α-ALKYL LACTONES HENKEL CORPORATION (US) 1992-06-11 WO disclosed
US-4980342-A Process for the preparation of α-alkyl lactones HENKEL CORPORATION (US) 1990-12-25 US disclosed